SCHEMBL8523177

SCHEMBL8523177

NC(=O)c1ccccc1-c1ccnnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
GRM5 P41594 2/20 0.43
NUDT1 P36639 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.39
METAP2 P50579 1/20 0.38
CHEK1 O14757 1/20 0.38
ALOX5AP P20292 1/20 0.37

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
SCHEMBL9599501 0.86 BCAT2 (0.41) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL2576585 0.85 RAB9A (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL29938206 0.85 RAB9A (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL31227244 0.81 BCAT2 (0.55) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL1648463 0.81 BCAT2 (0.55) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL1719706 0.81 AKR1C3 (0.44) ALDH1A1MAPTMAPK1
SCHEMBL16731967 0.78 ALDH1A1 (0.32) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1647241 0.76 BCAT2 (0.61) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL997865 0.74 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL31249988 0.74 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412282-B Double-targeting antibody specifically binding with interleukin-17A and tumor necrosis factor-alpha Y 生物股份有限公司 2025-05-27 CN disclosed
EP-0912089-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE Hoechst Schering AgrEvo GmbH (DE) 1999-05-06 EP disclosed
WO-1997045016-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE HOECHST SCHERING AGREVO GMBH (DE) 1997-12-04 WO disclosed