SCHEMBL4957641

SCHEMBL4957641

NNC(=O)CCSc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
HPGD P15428 3/20 0.63
KMT2A Q03164 3/20 0.61
MAPT P10636 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL3487695 0.98 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL45077 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL29452929 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14207708 0.84 KMT2A (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL1686048 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4055817 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL30602595 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL433102 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31005453 0.80 KMT2A (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4737383 0.76 NPC1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6027874-A IMMUNOASSAY BY CONTACTING SAMPLE WITH CONJUGATE OF GLYCOSYLATED LABELING ENZYMES AND IMMUNOLOGICAL SUBSTANCE, AND DETECTING COMPLEX FORMED; FOR INCREASED SENSITIVITY OF VIRAL INFECTIONS PASTEUR SANOFI DIAGNOSTICS (FR) 2000-02-22 US claimed
EP-0398305-B1 Anthracycline conjugates having a novel linker and methods for their production BRISTOL MYERS SQUIBB CO (US) 1997-03-19 EP claimed
EP-0328147-B1 Anthracycline immunoconjugates having a novel linker and methods for their production BRISTOL MYERS SQUIBB CO (US) 1994-05-11 EP claimed
CN-119923278-A Dendrimer compositions for targeted delivery of fantasy therapeutic agents 约翰霍普金斯大学 2025-05-02 CN disclosed
CN-119789874-A Cannabis for targeted delivery vegetable dendrimer composition 约翰霍普金斯大学 2025-04-08 CN disclosed
CN-119053344-A Dendrimer compositions for targeted delivery of therapeutic agents to neurons 约翰霍普金斯大学 2024-11-29 CN disclosed
CN-111867633-B Covalent anesthetic-polymer conjugates for achieving prolonged local anesthesia 儿童医学中心公司 2023-09-22 CN disclosed
CN-115103689-A Dendrimer compositions and methods for drug delivery 阿什瓦塔治疗股份有限公司 2022-09-23 CN disclosed
US-20220160874-A1 NEUROTROPHIC FACTOR PROTEIN CONJUGATES AND RELATED EMBODIMENTS TECHNICAL UNIVERSITY OF DENMARK (DE) 2022-05-26 US disclosed
EP-3946413-A1 NEUROTROPHIC FACTOR PROTEIN CONJUGATES AND RELATED EMBODIMENTS Technical University of Denmark (DK) 2022-02-09 EP disclosed
CN-111867633-A Covalent narcotic-polymer conjugates for achieving prolonged local anesthesia 儿童医学中心公司 2020-10-30 CN disclosed
US-5955605-A DIAGNOSIS AND TREATMENT OF CANCER WITH CONJUGATES NEORX CORPORATION (US) 1999-09-21 US disclosed
EP-0695189-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE WITH IFN-GAMMA INHIBITORS GENENTECH INC (US) 1998-11-25 EP disclosed
US-5630996-A Two-step pretargeting methods using improved biotin-active agent conjugates NEORX CORPORATION (US) 1997-05-20 US disclosed
EP-0398305-B1 Anthracycline conjugates having a novel linker and methods for their production BRISTOL MYERS SQUIBB CO (US) 1997-03-19 EP disclosed
US-5608060-A DIAGNOSIS AND TREATMENT OF CANCER; DRUG DELIVERY TO TARGET CELLS NEORX CORPORATION (US) 1997-03-04 US disclosed
EP-0695189-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE WITH IFN-GAMMA INHIBITORS GENENTECH, INC. (US) 1996-02-07 EP disclosed
EP-0646019-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-04-05 EP disclosed
WO-1994014467-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE WITH IFN-GAMMA INHIBITORS GENENTECH, INC. (US) 1994-07-07 WO disclosed
WO-1993025240-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1993-12-23 WO disclosed