SCHEMBL2737086

SCHEMBL2737086

CS(=O)(=O)c1ccc(-c2ccc3c(c2)c(N)cn3-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL10208302 0.86 HDAC2 (0.41)
SCHEMBL12309625 0.84
SCHEMBL2736800 0.82 CAPN1 (0.50)
SCHEMBL2736995 0.80 RORC (0.45) KDM4E
SCHEMBL14176090 0.75 RORC (0.50)
SCHEMBL14176089 0.75 CA1 (0.47) CA1CA2KDM4EMEN1KMT2A
SCHEMBL2736544 0.75 RARG (0.49) RARG
SCHEMBL2349058 0.74 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL13594243 0.73 RORC (0.43)
SCHEMBL10207671 0.73 EGFR (0.48) KDM4EMEN1KMT2A

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