SCHEMBL4574102

SCHEMBL4574102

N#Cc1ccc(Oc2nc(-c3cccnc3)nc3ccsc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP19A1 P11511 1/20 0.48
▸ GBA1 P04062 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ CYP11B2 P19099 4/20 0.45
▸ CYP11B1 P15538 3/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL4783849 0.88 MAPT (0.49) MAPTNPSR1POLBABCG2PDE4A
SCHEMBL4575030 0.86 KDM4E (0.44) MAPTNPSR1POLBCYP19A1PDE4A
SCHEMBL14103758 0.82 ABCG2 (0.43) MAPTABCG2L3MBTL1GAAKMT2A
SCHEMBL14104181 0.81 RXFP1 (0.55) MAPTNPSR1POLBABCG2L3MBTL1
SCHEMBL4740291 0.81 PTGS1 (0.46) MAPTNPSR1ABCG2L3MBTL1GAA
SCHEMBL4740942 0.81 PTGS1 (0.46) MAPTNPSR1ABCG2L3MBTL1GAA
SCHEMBL11990374 0.79 PRKCI (0.45) MAPTL3MBTL1GAACYP1A2CYP3A4
SCHEMBL9881228 0.79 PRKCI (0.43) MAPTCYP11B2CYP11B1L3MBTL1GAA
SCHEMBL14104447 0.77 MAPT (0.43) MAPTCYP11B1L3MBTL1GAAKMT2A
SCHEMBL11891893 0.76 MAPT (0.49) MAPTNPSR1POLBABCG2PDE4A

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
Send feedback