SCHEMBL2736676

SCHEMBL2736676

Nc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.54
ACMSD Q8TDX5 1/20 0.54
RORC P51449 1/20 0.51
METTL3 Q86U44 1/20 0.46
METTL14 Q9HCE5 1/20 0.46

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
SCHEMBL2736831 0.83 RORC (0.47) RORC
SCHEMBL12309659 0.83
SCHEMBL2737049 0.80
SCHEMBL2737047 0.80
SCHEMBL2736543 0.79
SCHEMBL2736709 0.78 ALDH1A1 (0.46)
SCHEMBL2736688 0.77
SCHEMBL12309660 0.76
SCHEMBL10207670 0.76 RORC (0.49) RORC
SCHEMBL2737152 0.75 RORC (0.52) RORC

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