SCHEMBL10285292

SCHEMBL10285292

CC(=O)/C=C(/c1ccncc1)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TYK2 P29597 1/20 0.49
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
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
SCHEMBL16426255 0.78 L3MBTL1 (0.55) L3MBTL1NPC1RAB9ATYK2CYP3A4
SCHEMBL30331009 0.78 CYP19A1 (0.61) L3MBTL1NPC1RAB9ATYK2CYP3A4
SCHEMBL8864603 0.76 L3MBTL1 (0.65) L3MBTL1NPC1RAB9ATYK2CYP3A4
SCHEMBL9524288 0.73 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ATYK2CYP3A4
SCHEMBL9524284 0.73 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ATYK2CYP3A4
SCHEMBL6473034 0.72 RAB9A (0.50) L3MBTL1NPC1RAB9ACYP3A4CYP2C19
SCHEMBL8508169 0.72 HPGD (0.44) MAPK1HPGDELANE
SCHEMBL27832641 0.72 HPGD (0.44) MAPK1HPGDELANE
SCHEMBL6446499 0.72 ERCC5 (0.41) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL24505933 0.70 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ATYK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed