SCHEMBL7471656

SCHEMBL7471656

COc1cc(CC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](C(=O)O)c2ccc(OC)c(OC)c2)ccc1NC(=O)Nc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
LMNA P02545 2/20 0.38
CTSD P07339 2/20 0.37
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CHEK1 O14757 2/20 0.36

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
SCHEMBL7471806 1.00 KMT2A (0.43) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL7470798 0.92 RAB9A (0.42) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL7466040 0.90 ITGB1 (0.46) KMT2AMEN1NPSR1ITGB1ITGA4
SCHEMBL7466308 0.90 ITGB1 (0.46) KMT2AMEN1NPSR1ITGB1ITGA4
SCHEMBL7472840 0.90 MEN1 (0.41) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7467208 0.82 ITGB1 (0.42) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL7465560 0.82 ITGB1 (0.42) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL7461541 0.80 KMT2A (0.42) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7467339 0.80 KMT2A (0.45) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7461109 0.80 KMT2A (0.45) KMT2AMEN1RAB9AITGB1ITGA4

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