SCHEMBL8922100

SCHEMBL8922100

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSCC1CCc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.35
HSP90B1 P14625 1/20 0.35
THRB P10828 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL8922729 0.85 MALT1 (0.49) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL8922106 0.80 MCHR1 (0.35) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL8921188 0.74 KMT2A (0.46) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8922095 0.74 MAPT (0.35) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL8921372 0.73 RAB9A (0.46) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7456883 0.73 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL7458969 0.71 MAPT (0.49) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL7462906 0.70 MAPT (0.51) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL7453231 0.70 SMN1; SMN2 (0.47) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL8921973 0.70 KMT2A (0.39) KMT2AMEN1LMNAMAPTALDH1A1

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed