SCHEMBL7653874

SCHEMBL7653874

NC(=NO)c1ccc(N2CCN(CC(=O)NC(CC(=O)OCc3ccccc3)c3ccc4c(c3)OCO4)C(=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 3/20 0.39
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ITGAV P06756 4/20 0.36
EDNRA P25101 1/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL7660272 0.90 ITGB3 (0.40) ITGB3ITGA2BTP53LMNAMAPT
SCHEMBL7660276 0.90 ITGB3 (0.40) ITGB3ITGA2BTP53LMNAMAPT
SCHEMBL7446071 0.89 ITGB3 (0.49) ITGB3ITGA2BTP53LMNAITGAV
SCHEMBL7661566 0.84 ITGB3 (0.40) ITGB3ITGA2BTP53LMNAMAPT
SCHEMBL7661560 0.84 ITGB3 (0.40) ITGB3ITGA2BTP53LMNAMAPT
SCHEMBL7662828 0.83 F10 (0.36)
SCHEMBL7662823 0.83 F10 (0.36)
Acetic Acid SCHEMBL7660336 0.81 ITGB3 (0.48) ITGB3ITGA2BTP53LMNAOPRM1
SCHEMBL7454860 0.81 ITGB3 (0.44) ITGB3ITGA2BTP53LMNAOPRM1
SCHEMBL7454863 0.81 ITGB3 (0.44) ITGB3ITGA2BTP53LMNAOPRM1

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-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed