SCHEMBL18007231

SCHEMBL18007231

O=c1[nH]cc(-c2ccc(-c3ccccc3)cn2)cc1-c1ccccc1C=NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
AURKA O14965 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CASP1 P29466 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
MCL1 Q07820 2/20 0.34
AXL P30530 2/20 0.33
SGK1 O00141 2/20 0.33
KDR P35968 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
RIPK1 Q13546 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
DHODH Q02127 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL18007218 0.86 AXL (0.37) TNKSHSD17B1HSD17B2AURKAMAPT
SCHEMBL18007256 0.79 PTGS2 (0.38) TNKSAURKAMAPTTHRBCASP1
SCHEMBL7941636 0.65 ALDH1A1 (0.44) HSD17B1HSD17B2MAPTKDM4EALDH1A1
SCHEMBL2160705 0.65 GRIN2D (0.59) ALDH1A1HPGD
SCHEMBL2160707 0.65 GRIN2D (0.59) ALDH1A1HPGD
SCHEMBL3323469 0.65 GRIN2D (0.59) ALDH1A1HPGD
SCHEMBL13910991 0.65 HSD17B1 (0.63) HSD17B1HSD17B2AXLKDRKDM4E
SCHEMBL30587086 0.64 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL18015479 0.64 HSD17B1 (0.59) HSD17B1HSD17B2DYRK1AKDM4EHPGDS
SCHEMBL19794431 0.64 LDHA (0.50) HSD17B1HSD17B2DYRK1AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259262-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL Mapi Pharma Limited (IL) 2017-12-27 EP disclosed
WO-2016132343-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PERAMPANEL MAPI PHARMA LTD. (IL) 2016-08-25 WO disclosed