SCHEMBL2736699

SCHEMBL2736699

Nc1cn(-c2ccc(C(=O)O)cc2)c2ccc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.50
RORC P51449 1/20 0.50
RAB9A P51151 1/20 0.47
HPGD P15428 8/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
MYC P01106 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PHGDH O43175 1/20 0.42

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
SCHEMBL12309623 0.84
SCHEMBL2736995 0.83 RORC (0.45) RORCKDM4E
SCHEMBL14176090 0.75 RORC (0.50) RORCTSHR
SCHEMBL14176077 0.75 CA12 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL2736544 0.75 RARG (0.49) RARGRORC
SCHEMBL4696938 0.74 HPGD (0.72) HPGDALDH1A1PKMKDM4EMAPT
SCHEMBL13594243 0.73 RORC (0.43) RORC
SCHEMBL14176089 0.72 CA1 (0.47) KDM4EMAPT
SCHEMBL14176088 0.72 RORC (0.58) RORC
SCHEMBL546571 0.72 PKM (0.62) HPGDALDH1A1PKMKDM4ESMN1; SMN2

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