SCHEMBL7104049

SCHEMBL7104049

COc1ccc(C)cc1.O=C(NCCc1ccc(Cl)c(Cl)c1)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
PLAAT3 P53816 3/20 0.43
PLAAT5 Q96KN8 3/20 0.43
PLAAT2 Q9NWW9 3/20 0.43
PLAAT4 Q9UL19 3/20 0.43
HPGD P15428 1/20 0.42
CAPN1 P07384 2/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7102822 0.90 KMT2A (0.49) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7103731 0.90 KMT2A (0.52) KMT2AMAPTPLAAT3PLAAT5PLAAT2
SCHEMBL7104238 0.89 KMT2A (0.48) KMT2ACAPN1CTSLCTSSCTSK
SCHEMBL7098739 0.89 PLAAT3 (0.53) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7098639 0.88 LMNA (0.53) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7099460 0.87 KMT2A (0.60) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7099462 0.87 KMT2A (0.60) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7099381 0.83 MMP8 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4MMP8
SCHEMBL7104122 0.83 MMP8 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4MMP8
SCHEMBL7101188 0.83 KMT2A (0.45) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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 2 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