SCHEMBL7273000

SCHEMBL7273000

CS(=O)(=O)CCCN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
PKM P14618 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL7276085 0.91 ITGB3 (0.43) ITGB3ITGA2BALDH1A1LMNAPOLB
SCHEMBL7283439 0.87 ITGB3 (0.52) ITGB3ITGA2BPPARD
SCHEMBL7283779 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7283093 0.87 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7275930 0.86 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7272750 0.86 ITGB3 (0.59) ITGB3ITGA2BALDH1A1LMNAPOLB
SCHEMBL7275215 0.86 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7280400 0.85 ITGB3 (0.52) ITGB3ITGA2BALDH1A1LMNAPOLB
SCHEMBL7273299 0.85 ITGB3 (0.52) ITGB3ITGA2BPPARDPRSS1TMPRSS2
SCHEMBL7273468 0.85 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed