SCHEMBL7652572

SCHEMBL7652572

COC(=O)CC(NC(C)=O)c1ccc(N(C(C)=O)c2ccc(NC(=O)Nc3ccccc3C)c(SC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
UTS2R Q9UKP6 1/20 0.38
ITGB1 P05556 4/20 0.38
ITGA4 P13612 4/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 7/20 0.38
POLB P06746 1/20 0.37
ITGB7 P26010 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7652562 1.00 KMT2A (0.39) KMT2ASMN1; SMN2RAB9ANPC1UTS2R
SCHEMBL7652570 0.92 KMT2A (0.42) KMT2ASMN1; SMN2RAB9ANPC1UTS2R
SCHEMBL7650759 0.89 ITGB1 (0.46) KMT2ASMN1; SMN2RAB9ANPC1UTS2R
SCHEMBL7650754 0.89 ITGB1 (0.46) KMT2ASMN1; SMN2RAB9ANPC1UTS2R
SCHEMBL5700912 0.82 ITGB1 (0.55) KMT2ASMN1; SMN2RAB9ANPC1ITGB1
SCHEMBL5700902 0.82 ITGB1 (0.55) KMT2ASMN1; SMN2RAB9ANPC1ITGB1
SCHEMBL5700984 0.82 ITGB1 (0.51) KMT2AITGB1ITGA4MAPTALDH1A1
SCHEMBL5700989 0.82 ITGB1 (0.51) KMT2AITGB1ITGA4MAPTALDH1A1
SCHEMBL5700993 0.81 ITGB1 (0.51) KMT2AITGB1ITGA4MAPTALDH1A1
SCHEMBL5700996 0.81 ITGB1 (0.51) KMT2AITGB1ITGA4MAPTALDH1A1

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-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed