SCHEMBL7461541

SCHEMBL7461541

COc1cc(CC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](C(=O)O)c2ccc3c(c2)OCO3)ccc1NC(=O)Nc1ccc(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.38
CHEK1 O14757 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
PTGFR P43088 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CTSD P07339 1/20 0.34

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
SCHEMBL7472840 0.90 MEN1 (0.41) KMT2ARAB9AMEN1CHEK1ITGB1
SCHEMBL7463043 0.90 RAB9A (0.50) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7467296 0.90 RAB9A (0.50) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7467339 0.88 KMT2A (0.45) KMT2ARAB9AMEN1ALDH1A1MAPK1
SCHEMBL7461109 0.88 KMT2A (0.45) KMT2ARAB9AMEN1ALDH1A1MAPK1
SCHEMBL7468535 0.81 ATM (0.45) KMT2AMEN1CHEK1ITGB1ITGA4
SCHEMBL7473206 0.81 ATM (0.45) KMT2AMEN1CHEK1ITGB1ITGA4
SCHEMBL7471656 0.80 KMT2A (0.43) KMT2ARAB9AMAPTMEN1CHEK1
SCHEMBL7471806 0.80 KMT2A (0.43) KMT2ARAB9AMAPTMEN1CHEK1
SCHEMBL7464092 0.80 RAB9A (0.48) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed