SCHEMBL7102068

SCHEMBL7102068

CC(=S)C(C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX12 P18054 1/20 0.47
ANPEP P15144 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
IDO1 P14902 1/20 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
SCHEMBL7102063 1.00 KMT2A (0.49) KMT2AMEN1TSHRPOLBCYP2C9
SCHEMBL7099866 0.87 KMT2A (0.51) KMT2AMEN1TSHRPOLBCYP2C9
SCHEMBL7099870 0.87 KMT2A (0.51) KMT2AMEN1TSHRPOLBCYP2C9
SCHEMBL7102290 0.87 KMT2A (0.51) KMT2AMEN1TSHRPOLBCYP2C9
SCHEMBL7102065 0.85 KMT2A (0.47) KMT2AMEN1TSHRPOLBCYP2C9
SCHEMBL7097755 0.82 MMP8 (0.54) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL7104285 0.82 MMP8 (0.52) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL7104280 0.82 MMP8 (0.52) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL7097759 0.82 MMP8 (0.54) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL7102880 0.80 KMT2A (0.52) KMT2AMEN1TSHRPOLBCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed