SCHEMBL11375487

SCHEMBL11375487

COC(=O)c1scc(C)c1Nc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTR1A P08908 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
MEN1 O00255 2/20 0.45
PTGS2 P35354 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL11346139 0.85 KMT2A (0.68) POLBCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11370320 0.83 KMT2A (0.54) MAPTPKMATMPOLBCYP1A2
SCHEMBL11374305 0.80 KMT2A (0.46) MAPTPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL11375075 0.77 PTGS2 (0.45) MAPTPOLBKMT2AALDH1A1HPGD
SCHEMBL11348514 0.76 PTGS2 (0.56) POLBCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11369640 0.75 KMT2A (0.67) MAPTPKMPOLBKMT2AALDH1A1
SCHEMBL23022527 0.75 MAPT (0.59) MAPTPKMATMPOLBCYP1A2
SCHEMBL11574182 0.75 KMT2A (0.55) KMT2AALDH1A1MEN1PTGS2
SCHEMBL18362869 0.73 MAPT (0.57) MAPTPKMATMPOLBCYP1A2
SCHEMBL2987502 0.73 MAPT (0.49) MAPTPKMATMPOLBCYP1A2

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-4272507-A Phenylaminothiophenacetic acids, their synthesis, compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-06-09 US disclosed