SCHEMBL40798

SCHEMBL40798

COc1cc(CBr)c([N+](=O)[O-])cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45

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
SCHEMBL29510934 1.00 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL19361406 0.88 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL28083185 0.88 ALDH1A1 (0.48) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL6346965 0.87 CYP3A4 (0.46) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL13946710 0.85 SMN1; SMN2 (0.45) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL3645769 0.85 ALDH1A1 (0.59) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL124590 0.85 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL13284064 0.84 ALDH1A1 (0.60) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL4043187 0.84 ALDH1A1 (0.57) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL14336664 0.83 ALDH1A1 (0.54) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
EP-3565484-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2019-11-13 EP claimed
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN claimed
WO-2018129369-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2018-07-12 WO claimed
US-20180185096-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. 2018-07-05 US claimed
WO-2012006038-A2 AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO claimed
US-20010046676-A1 Integrated sequencing device BBI BIOSEQ, INC., MASSACHUSETTS CORPORATION 2001-11-29 US claimed
US-6245506-B1 IMMOBILIZING BIOPOLYMER ON SOLID SUPPORT IN REACTION VESSEL, MIXING WITH ION DEPENDENT ENZYME AND PRESSURE SENSITIVE BUFFER, ALTERING PRESSURE IN THE VESSEL TO ALLOW REACTION TO OCCUR, DETERMINING IDENTITY OF DISSOCIATED TERMINAL MONOMER BBI BIOSEQ, INC. 2001-06-12 US claimed
US-12383421-B2 Contraceptive devices Contraline, Inc. (US) 2025-08-12 US disclosed
CN-116283939-B Antifungal compound with photoresponse activity and application thereof 中国人民解放军海军军医大学 2025-02-07 CN disclosed
WO-2025021994-A1 NEW PHOTOCLEAVABLE PYRANINE DERIVATIVES, THEIR METHOD OF PREPARATION AND THEIR USES PARIS SCIENCES ET LETTRES (FR) 2025-01-30 WO disclosed
CN-119350304-A Antifungal compound with photoresponse activity and application thereof 中国人民解放军海军军医大学 2025-01-24 CN disclosed
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
US-4590211-A USING HYDROXYUREA PRODURG FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4302457-A ACTIVATION OF PRO-DRUGS BY ULTRAVIOLET RADIATION IN TREATMENT OF SKIN DISORDERS THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4302456-A UV RADIATION ACTIVATION OF PRO-DRUG, FOR SKIN DISEASE THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4235887-A ADMINISTERING PRO-DRUG STEROID FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1980-11-25 US disclosed
US-4086254-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1978-04-25 US disclosed