SCHEMBL2736995

SCHEMBL2736995

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

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14176090 0.88 RORC (0.50) RORC
SCHEMBL14176077 0.88 CA12 (0.45)
SCHEMBL2736544 0.88 RARG (0.49) RORC
SCHEMBL13594243 0.86 RORC (0.43) RORC
SCHEMBL14176089 0.85 CA1 (0.47) KDM4E
SCHEMBL14176088 0.84 RORC (0.58) RORC
SCHEMBL10208302 0.84 HDAC2 (0.41)
SCHEMBL2736800 0.83 CAPN1 (0.50)
SCHEMBL2736538 0.83 PLA2G4A (0.53) RORCKDM4E
SCHEMBL2736699 0.83 RARG (0.50) RORCKDM4E

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