SCHEMBL45077

SCHEMBL45077

NNC(=O)CCSSc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29452929 1.00 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1686048 0.99 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31005453 0.92 KMT2A (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25437569 0.89 HPGD (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
Tert-Butyl Formate SCHEMBL28578804 0.87 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21727772 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL17453147 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL14438986 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL27424590 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2754994 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2352 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115581847-B Photodynamic balloon catheter system 杭州矩正医疗科技有限公司 2026-05-19 CN claimed
CN-118510907-A Use of decoy polynucleotides in single cell multinomial 贝克顿迪金森公司 2024-08-16 CN claimed
EP-4396367-A1 RNA PRESERVATION AND RECOVERY FROM FIXED CELLS Becton, Dickinson and Company (US) 2024-07-10 EP claimed
EP-4396368-A1 USE OF DECOY POLYNUCLEOTIDES IN SINGLE CELL MULTIOMICS Becton, Dickinson and Company (US) 2024-07-10 EP claimed
EP-4380545-A1 MUCOADHESIVE OCULAR DELIVERY SYSTEM FOR THE TREATMENT OF GLAUCOMA Bioadhésive Ophthalmics (FR) 2024-06-12 EP claimed
CN-118019523-A Mucoadhesive ocular delivery system for the treatment of glaucoma 生物粘附眼科公司 2024-05-10 CN claimed
CN-117897498-A RNA preservation and recovery from immobilized cells 贝克顿迪金森公司 2024-04-16 CN claimed
WO-2024069235-A2 COMPOSITIONS CONTAINING OLIGONUCLEOTIDES WITH THERANOSTIC APPLICATIONS Sixfold Bioscience Ltd. (GB) 2024-04-04 WO claimed
CN-113274488-B Oligosaccharide vaccine for specifically preventing fungal infection and preparation method thereof 山东省药学科学院 2023-08-29 CN claimed
CN-116068167-A Separation and detection method of extracellular biomacromolecule 厦门福流生物科技有限公司 2023-05-05 CN claimed
EP-0751959-B1 MODIFIED POLYPEPTIDES WITH INCREASED BIOLOGICAL ACTIVITY NEW ENGLAND DEACONESS HOSPITAL (US) 2000-01-05 EP claimed
US-6004770-A MASS SPECTROMETRY SAMPLE PRESENTATION APPARATUSES DERIVATIZED WITH COMPLEXES INCLUDING AT LEAST ONE MOLECULE WHICH MODIFIES A BIOMOLECULE ARIZONA STATE UNIVERSITY BOARD OF REGENTS (US) 1999-12-21 US claimed
US-5869348-A Methods for the preparation of antibodies directed against dithiocarbamates and the use thereof for detection of nitric oxide in body fluids MEDINOX, INC. (US) 1999-02-09 US claimed
WO-1997043645-A1 ANTIBODIES DIRECTED AGAINST DITHIOCARBAMATES MEDINOX, INC. (US) 1997-11-20 WO claimed
EP-0752102-A1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 1997-01-08 EP claimed
EP-0751959-A1 MODIFIED POLYPEPTIDES WITH INCREASED BIOLOGICAL ACTIVITY NEW ENGLAND DEACONESS HOSPITAL (US) 1997-01-08 EP claimed
US-5580853-A ERYTHROPOIETIN WITH ATTACHED HETEROBIFUNCTIONAL CROSSLINKING REAGENT CONTAINING CLEAVABLE DISULFIDE BOND GROUP NEW ENGLAND DEACONESS HOSPITAL (US) 1996-12-03 US claimed
WO-1996023226-A9 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF 1996-10-31 WO claimed
WO-1996023226-A1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 1996-08-01 WO claimed
WO-1995025746-A1 MODIFIED POLYPEPTIDES WITH INCREASED BIOLOGICAL ACTIVITY NEW ENGLAND DEACONESS HOSPITAL (US) 1995-09-28 WO claimed