SCHEMBL4740942

SCHEMBL4740942

N#Cc1ccc(-c2nc(Oc3ccc(F)cc3)c3sccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PRKCI P41743 1/20 0.36

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
SCHEMBL4740291 1.00 PTGS1 (0.46) PTGS1KDM4EMEN1KMT2AHPGD
SCHEMBL14104181 0.88 RXFP1 (0.55) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL4783849 0.88 MAPT (0.49) KDM4ECYP1A2CYP3A4CYP2C19RXFP1
SCHEMBL4575030 0.87 KDM4E (0.44) KDM4ECYP1A2CYP3A4CYP2C19RXFP1
SCHEMBL4740295 0.84 PTGS1 (0.40) PTGS1KDM4EMEN1KMT2AHPGD
SCHEMBL14104172 0.84 ABCG2 (0.49) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL4738769 0.84 MAPK1 (0.46) PTGS1KDM4ECYP2C19HTTCYP2C9
SCHEMBL9881243 0.84 MAPT (0.52) KDM4ECYP1A2CYP3A4CYP2C19RXFP1
SCHEMBL14103882 0.81 CYP1A2 (0.43) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL4574102 0.81 MAPT (0.50) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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