SCHEMBL8974906

SCHEMBL8974906

Cc1nc(N)c(C#N)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.68
ADORA2A P29274 4/20 0.68
HTT P42858 3/20 0.68
ADRA2A P08913 2/20 0.68
KDM4E B2RXH2 9/20 0.61
RXFP1 Q9HBX9 3/20 0.57
ALDH1A1 P00352 8/20 0.53
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
LMNA P02545 1/20 0.50
ADORA1 P30542 1/20 0.48
PRNP P04156 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL8975579 0.86 ALDH1A1 (0.55) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8918577 0.85 ALDH1A1 (0.72) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8975128 0.84 HTT (0.48) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL19356918 0.78 ADORA2A (0.56) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL11037564 0.78 HSD17B10 (0.77) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL6957371 0.77 SMN1; SMN2 (0.65) HTTKDM4ERXFP1ALDH1A1HPGD
SCHEMBL7011406 0.77 ADORA2A (0.70) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL22866590 0.75 ADORA1 (0.53) HSD17B10ADORA2AHTTADRA2AALDH1A1
SCHEMBL29661937 0.75 ADORA1 (0.53) HSD17B10ADORA2AHTTADRA2AALDH1A1
SCHEMBL5483513 0.75 HSD17B10 (0.72) HSD17B10ADORA2AHTTADRA2AKDM4E

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-0705820-A1 6-Amino-nicotinic acid derivatives and their use as selective K-channel modulators BAYER AG (DE) 1996-04-10 EP disclosed