SCHEMBL8921188

SCHEMBL8921188

COC(=O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
FABP4 P15090 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8923316 0.80 MEN1 (0.42) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8920264 0.80 MEN1 (0.66) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8921372 0.79 RAB9A (0.46) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7456883 0.78 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7459783 0.78 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8922387 0.78 MAPT (0.50) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7461619 0.77 ALDH1A1 (0.52) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7462894 0.77 KDM4E (0.64) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8920748 0.77 KMT2A (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8923079 0.77 ALDH1A1 (0.43) 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