SCHEMBL2736806

SCHEMBL2736806

Nc1cn(-c2ccc(C(=O)O)cc2)c2ccc(OCc3ccsc3)cc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44

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
SCHEMBL10207668 0.88 PARP15 (0.41) PARP15PARP10PARP3
SCHEMBL12309633 0.85
SCHEMBL2737080 0.81 PLA2G4A (0.55)
SCHEMBL2736704 0.79 PLA2G4A (0.43)
SCHEMBL10207822 0.78 PLA2G4A (0.48)
SCHEMBL14176089 0.77 CA1 (0.47)
SCHEMBL2736796 0.76
SCHEMBL10207833 0.76 FGFR1 (0.47)
SCHEMBL2736916 0.75 GABRA1 (0.46)
SCHEMBL2736995 0.75 RORC (0.45)

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
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed