SCHEMBL4363402

SCHEMBL4363402

Cc1c(C(=O)O)[nH]c2c(Cl)cc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
MCL1 Q07820 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR35 Q9HC97 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAP2 P11137 1/20 0.41
FBP1 P09467 2/20 0.41
GPR17 Q13304 1/20 0.39

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
SCHEMBL8687603 0.88 MAP2 (0.41) GRIN1KDM4EMEN1ALDH1A1GAA
SCHEMBL16570960 0.83 GPR35 (0.50) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL4076852 0.76 KDM4E (0.62) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL7532885 0.75 GPR17 (0.58) GRIN1MEN1HPGDTSHRKMT2A
SCHEMBL31025915 0.74 CSNK2A2 (0.53) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL3037898 0.72 MAP2 (0.63) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL31025925 0.72 MAPT (0.50) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL3110609 0.71 MAPT (0.46) GRIN1MCL1KDM4EMEN1ALDH1A1
SCHEMBL30182439 0.71 MAPT (0.46) GRIN1MCL1KDM4EMEN1ALDH1A1
SCHEMBL31025927 0.71 MEN1 (0.50) GRIN1MEN1ALDH1A1POLBKMT2A

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
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed