SCHEMBL9126359

SCHEMBL9126359

Fc1cccc(Cl)c1COc1cccnc1NC(=S)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.55
PPIA P62937 7/20 0.47
PPIF P30405 1/20 0.46
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DHODH Q02127 2/20 0.43

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
SCHEMBL9126321 0.94 SGMS2 (0.50) SGMS2PPIAPPIFKMT2ATDP1
SCHEMBL9124294 0.93 PPIA (0.50) SGMS2PPIAPPIFKMT2ATDP1
SCHEMBL9126866 0.92 PPIA (0.52) SGMS2PPIAKMT2AALDH1A1MAPT
SCHEMBL9125275 0.91 PPIF (0.49) SGMS2PPIAPPIFKMT2ATDP1
SCHEMBL9123738 0.89 PPIF (0.55) SGMS2PPIAPPIFKMT2ATDP1
SCHEMBL9126729 0.87 SGMS2 (0.55) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9125551 0.87 PPIA (0.53) SGMS2PPIAPPIFKMT2AALDH1A1
SCHEMBL9124509 0.86 PPIA (0.53) SGMS2PPIAPPIFKMT2ATDP1
SCHEMBL9124740 0.84 PPIA (0.55) SGMS2PPIAKMT2AALDH1A1MAPT
SCHEMBL9126812 0.82 PPIA (0.52) PPIAPPIFKMT2AALDH1A1MAPT

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-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed