SCHEMBL7097650

SCHEMBL7097650

COc1ccc(CCNC(=O)C(NC(=O)C(Br)Cc2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
PLAAT3 P53816 3/20 0.54
PLAAT5 Q96KN8 3/20 0.54
PLAAT2 Q9NWW9 3/20 0.54
PLAAT4 Q9UL19 3/20 0.54
FPR2 P25090 1/20 0.52
PTPN1 P18031 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7097647 1.00 KMT2A (0.60) KMT2ANPC1GAARAB9ATAAR1
SCHEMBL7101421 0.89 KMT2A (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL7101423 0.89 KMT2A (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL7099460 0.86 KMT2A (0.60) KMT2ANPC1GAARAB9ATAAR1
SCHEMBL7099462 0.86 KMT2A (0.60) KMT2ANPC1GAARAB9ATAAR1
SCHEMBL7102745 0.86 KMT2A (0.57) KMT2ANPC1GAARAB9ATAAR1
SCHEMBL7102740 0.86 KMT2A (0.57) KMT2ANPC1GAARAB9ATAAR1
SCHEMBL7098762 0.82 MMP8 (0.58) KMT2ANPC1RAB9A
SCHEMBL7098758 0.82 MMP8 (0.58) KMT2ANPC1RAB9A
SCHEMBL13073347 0.80 KMT2A (0.63) KMT2ANPC1GAARAB9ATAAR1

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