SCHEMBL4575030

SCHEMBL4575030

N#Cc1ccc(Oc2nc(-c3ccncc3)nc3ccsc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 6/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PRKCI P41743 7/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ LMNA P02545 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
SCHEMBL4783849 0.89 MAPT (0.49) KDM4EMAPTPOLBNPSR1HTT
SCHEMBL4740291 0.87 PTGS1 (0.46) KDM4EMAPTNPSR1HTTCYP1A2
SCHEMBL14104181 0.87 RXFP1 (0.55) KDM4EMAPTPOLBNPSR1HTT
SCHEMBL4740942 0.87 PTGS1 (0.46) KDM4EMAPTNPSR1HTTCYP1A2
SCHEMBL4574102 0.86 MAPT (0.50) MAPTPOLBNPSR1HTTCYP1A2
SCHEMBL11990374 0.85 PRKCI (0.45) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL9881228 0.85 PRKCI (0.43) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL14095006 0.83 PDE4A (0.44) KDM4ECYP3A4PRKCIPDE4APDE4B
SCHEMBL4573992 0.82 MAPK1 (0.44) MAPTCYP2C9CYP2C19PRKCIPDE4A
SCHEMBL14103758 0.81 ABCG2 (0.43) KDM4EMAPTHTTCYP1A2CYP3A4

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
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO claimed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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