SCHEMBL7989263

SCHEMBL7989263

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3nn(CC(=O)O)cc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 1.00
ITGA2B P08514 5/20 1.00
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.43
HCRTR2 O43614 5/20 0.40
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
P2RX7 Q99572 1/20 0.37
CCR3 P51677 1/20 0.37
F10 P00742 2/20 0.36
HCRTR1 O43613 3/20 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
Trifluoroacetic Acid SCHEMBL7988698 0.96 ITGB3 (0.93) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7988741 0.92 ITGB3 (0.85) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7962201 0.91 ITGB3 (0.83) ITGB3ITGA2BKMT2ACA2HCRTR2
Hydrochloric Acid SCHEMBL7986123 0.90 ITGB3 (0.82) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7986107 0.90 ITGB3 (0.82) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7975364 0.90 ITGB3 (0.81) ITGB3ITGA2BKMT2AHCRTR2F10
Trifluoroacetic Acid SCHEMBL7989642 0.88 ITGB3 (0.79) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7975126 0.88 ITGB3 (0.79) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL7989378 0.88 ITGB3 (0.78) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL8121760 0.87 ITGB3 (0.76) ITGB3ITGA2BKMT2ACA2HCRTR2

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed