SCHEMBL9487166

SCHEMBL9487166

CCCCc1c(C(=O)c2ccc(O)cc2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CNR1 P21554 2/20 0.42
LMNA P02545 2/20 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
SCHEMBL9485442 0.89 CTSV (0.49) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL9486113 0.84 KCNH2 (0.54) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL9485669 0.84 KCNH2 (0.44) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL9486042 0.77 LMNA (0.41) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL9486757 0.76 MAPT (0.53) MEN1KMT2APKMMAPTHTT
SCHEMBL9400712 0.73 KCNH2 (0.63) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL9486050 0.73 CNR2 (0.47) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL29464057 0.73 EYA3 (0.65) TDP1KCNH2HTTLMNA
SCHEMBL282873 0.73 EYA3 (0.65) TDP1KCNH2HTTLMNA
SCHEMBL9486675 0.73 KCNH2 (0.52) ALDH1A1POLBMEN1KMT2AMAPT

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
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed