SCHEMBL17843451

SCHEMBL17843451

NC(=O)C1=Cc2ccccc2N=CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL8802496 0.85 TRPA1 (0.37) TRPA1TSHRL3MBTL1
SCHEMBL28844069 0.80 TRPA1 (0.35) TRPA1
SCHEMBL30020723 0.76 PARP1 (0.34) PARP1MAPTHSD17B10
SCHEMBL29638788 0.76 TLR8 (0.43) POLBMAPTTSHRHSD17B10
SCHEMBL28815824 0.76 P2RX4 (0.37) TRPA1MAPTTSHR
SCHEMBL30007216 0.75 TLR8 (0.38)
SCHEMBL20425672 0.75 TLR8 (0.40) TRPA1NOS3NOS1NOS2
SCHEMBL17843467 0.74 TP53 (0.49)
SCHEMBL29638777 0.74 TSHR (0.37) TRPA1POLBMAPTTSHRL3MBTL1
SCHEMBL29638773 0.74 TP53 (0.49)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233835-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-10-25 EP claimed
WO-2016096778-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO claimed
CN-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 CN disclosed
WO-2022242724-A1 NITROGEN-CONTAINING COMPOUND, CONJUGATE CONTAINING SAID COMPOUND, AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2022-11-24 WO disclosed
CN-115317603-A Antibody adjuvant conjugates 小利兰·斯坦福大学托管委员会 2022-11-11 CN disclosed
CN-114585390-A Aminobenzazepine compounds, immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2022-06-03 CN disclosed
CN-109843327-B Antibody adjuvant conjugates 小利兰·斯坦福大学托管委员会 2022-05-13 CN disclosed
EP-3233835-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
WO-2016096778-A1 BENZAZEPINE SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed