SCHEMBL7102822

SCHEMBL7102822

COc1ccc(C)cc1.O=C(NCCc1cccc(Cl)c1)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
CTSL P07711 5/20 0.47
CTSS P25774 5/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CTSK P43235 2/20 0.44
CTSV O60911 1/20 0.44
CTSB P07858 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
MAPT P10636 1/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL7104238 0.92 KMT2A (0.48) KMT2AMEN1CTSLCTSSALDH1A1
SCHEMBL7103731 0.91 KMT2A (0.52) KMT2ACTSLCTSSALDH1A1ADAMTS5
SCHEMBL7104049 0.90 KMT2A (0.49) KMT2ACTSLCTSSALDH1A1SMN1; SMN2
SCHEMBL7099763 0.88 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7098639 0.87 LMNA (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7102733 0.85 RAB9A (0.49) KMT2AALDH1A1POLBRAB9A
SCHEMBL7097735 0.85 RAB9A (0.49) KMT2AALDH1A1POLBRAB9A
SCHEMBL7099460 0.85 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7099462 0.85 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7101188 0.84 KMT2A (0.45) KMT2AMEN1CTSLCTSSCTSK

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