SCHEMBL6648586

SCHEMBL6648586

O=Cc1ccc2c(c1)NCC=C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.39
CYP2A6 P11509 4/20 0.37
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A3 P47895 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3503657 0.87 CYP2A6 (0.38) TNKS2CYP2A6ALDH1A1KDM4EPTGS2
SCHEMBL30688503 0.72 TNKS2 (0.36) TNKS2
SCHEMBL29720392 0.72 DRD2 (0.37) TNKS2
SCHEMBL1176363 0.72 DRD2 (0.37) TNKS2
SCHEMBL15161193 0.72 GAA (0.38) TNKS2CYP2A6ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28259357 0.70 KDM4E (0.41) ALDH1A1KDM4EPTGS2HSD17B10TSHR
SCHEMBL1438677 0.68 GAA (0.37) TNKS2ALDH1A1RAB9AHSD17B10
SCHEMBL2856444 0.68 ALDH1A1 (0.38) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL28219230 0.68 ALDH1A1 (0.33) TNKS2ALDH1A1
SCHEMBL762345 0.68 ALDH1A1 (0.34) TNKS2ALDH1A1RAB9AHSD17B10TDP1

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
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed