SCHEMBL8976353

SCHEMBL8976353

Cn1c2ccc([Sn](C)(C)C)cc2c2ccc(CO)nc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR1 P32246 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
HCRTR1 O43613 2/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL8976113 0.81 CYP1A2 (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8975796 0.76 DDB1 (0.34) KDM4EMAPTMEN1KMT2ANR1I2
SCHEMBL8975764 0.71 FEN1 (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8975983 0.65 MAOA (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8976111 0.64 ADORA3 (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL9301263 0.64 CCR1 (0.33) CCR1
SCHEMBL4308231 0.60 CCR1 (0.35) ALDH1A1CCR1
SCHEMBL9445867 0.60 PKLR (0.40) KDM4EMAPTALDH1A1
SCHEMBL26097277 0.60 NOTUM (0.52) MAPTCCR1MEN1KMT2A
SCHEMBL8976156 0.60 ACHE (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10

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-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed