SCHEMBL8719818

SCHEMBL8719818

CNc1cc(CCO)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 3/20 0.47
▸ GNB1 P62873 3/20 0.47
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ P2RY4 P51582 10/20 0.41
▸ P2RY2 P41231 6/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ P2RY12 Q9H244 4/20 0.40
▸ P2RY6 Q15077 2/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ GRK6 P43250 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
SCHEMBL8801925 0.81 MAPT (0.44) GNG2GNB1MAPTMAPK1EGFR
SCHEMBL2206978 0.79 MEN1 (0.51) GNG2GNB1MAPTMAPK1EGFR
SCHEMBL27516756 0.77 P2RY4 (0.49) GNG2GNB1MAPTMAPK1EGFR
SCHEMBL3477831 0.76 MEN1 (0.55) GNG2GNB1MAPTMAPK1PABPC1
SCHEMBL30118083 0.76 MEN1 (0.55) GNG2GNB1MAPTMAPK1PABPC1
SCHEMBL11591306 0.74 AURKA (0.54) MAPTMAPK1PABPC1RAB9ASMN1; SMN2
SCHEMBL2313177 0.74 MEN1 (0.48) MAPTMAPK1PABPC1RAB9ASMN1; SMN2
SCHEMBL92898 0.73 GNG2 (0.47) GNG2GNB1MAPTMAPK1EGFR
SCHEMBL11651457 0.72 GNG2 (0.77) GNG2GNB1MAPK1P2RY4P2RY2
SCHEMBL11348178 0.71 GNG2 (0.75) GNG2GNB1MAPK1P2RY4P2RY2

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-0863739-A2 HAIR DYE Wella Aktiengesellschaft (DE) 1998-09-16 — — EP disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 — — WO disclosed
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