SCHEMBL7987548

SCHEMBL7987548

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3nc(CC(=O)O)sc3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.66
ITGA2B P08514 6/20 0.66
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.40
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
HCRTR2 O43614 2/20 0.36
P2RX7 Q99572 1/20 0.36
CCR3 P51677 1/20 0.36
USP21 Q9UK80 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
SCHEMBL7975397 0.90 ITGB3 (0.58) ITGB3ITGA2BCA2KMT2AHCRTR2
SCHEMBL7989510 0.83 ITGB3 (0.65) ITGB3ITGA2BCA2KMT2ANPC1
SCHEMBL7986520 0.82 ITGB3 (0.49) ITGB3ITGA2BCA2KMT2ANPC1
Trifluoroacetic Acid SCHEMBL7975755 0.80 ITGB3 (0.61) ITGB3ITGA2BCA2KMT2AHCRTR2
SCHEMBL7989263 0.80 ITGB3 (1.00) ITGB3ITGA2BCA2KMT2ANPC1
Trifluoroacetic Acid SCHEMBL7988698 0.77 ITGB3 (0.93) ITGB3ITGA2BCA2KMT2ANPC1
SCHEMBL7992652 0.75 ITGB3 (0.54) ITGB3ITGA2BCA2KMT2ANPC1
SCHEMBL7988424 0.75 ITGB3 (0.57) ITGB3ITGA2BCA2KMT2AHCRTR2
Hydrochloric Acid SCHEMBL7986317 0.74 ITGB3 (0.56) ITGB3ITGA2BCA2KMT2AHCRTR2
SCHEMBL7962201 0.74 ITGB3 (0.83) ITGB3ITGA2BCA2KMT2ANPC1

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