SCHEMBL7302170

SCHEMBL7302170

O=C(O)Cc1csc(NC(=O)C(Cc2ccccc2)NP(=O)(O)OCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.54
ALDH1A1 P00352 1/20 0.49
SCD O00767 7/20 0.46
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
PDE5A O76074 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
HSPA5 P11021 1/20 0.41
HSPA9 P38646 1/20 0.41
HSPA2 P54652 1/20 0.41

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
SCHEMBL7298781 0.91 MME (0.55) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7307895 0.81 LMNA (0.55) ALDH1A1
SCHEMBL7307957 0.77 MME (0.56) MMEALDH1A1
SCHEMBL7301489 0.76 MME (0.60) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7438793 0.75 MME (0.59) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7443382 0.75 TACR1 (0.53) MME
SCHEMBL7346217 0.74 MME (0.69) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL4832627 0.73 ALDH1A1 (0.59) MMEALDH1A1SCDITGB1ITGA4
Lithium Ion SCHEMBL7309260 0.73 MME (0.47) MMEALDH1A1PDE5AKDM4EHSPA1A
SCHEMBL7303833 0.72 LMNA (0.58) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636630-B1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON SPA (IT) 1999-04-28 EP disclosed
US-5438046-A Enzyme inhibitors ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0636630-A1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1995-02-01 EP disclosed