SCHEMBL14103883

SCHEMBL14103883

Cc1cccc(-c2nc(Oc3ccc(F)cc3)c3sccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NR1I3 Q14994 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
SCHEMBL9881243 0.86 MAPT (0.52) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL14103882 0.82 CYP1A2 (0.43) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL4743128 0.81 MAPT (0.55) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL14104075 0.80 CYP1A2 (0.40) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL14104172 0.79 ABCG2 (0.49) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL14104081 0.78 MAPK1 (0.46) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL11990372 0.78 AR (0.39) CYP1A2CYP2C9CYP2C19CYP3A4RAB9A
SCHEMBL14104080 0.76 CYP1A2 (0.46) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL11885703 0.76 MAPT (0.62) MAPTL3MBTL1HTTCYP1A2CYP2C9
SCHEMBL4740291 0.76 PTGS1 (0.46) MAPTL3MBTL1HTTCYP1A2CYP2C9

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
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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