SCHEMBL7975361

SCHEMBL7975361

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3[nH]c(CC(=O)OCc4ccccc4)cc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.45
HCRTR2 O43614 5/20 0.44
HPN P05981 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
HCRTR1 O43613 3/20 0.40
F10 P00742 2/20 0.40
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL7985751 0.97 ITGB3 (0.54) ITGB3ITGA2BKMT2AP2RX7HCRTR2
SCHEMBL7992459 0.85 P2RX7 (0.46) KMT2AP2RX7HCRTR2
SCHEMBL7992291 0.83 ITGB3 (0.40) ITGB3ITGA2BKMT2AP2RX7HCRTR2
Trifluoroacetic Acid SCHEMBL7974839 0.78 ITGB3 (0.51) ITGB3ITGA2BKMT2AP2RX7HCRTR2
SCHEMBL7988424 0.78 ITGB3 (0.57) ITGB3ITGA2BKMT2AP2RX7HCRTR2
Hydrochloric Acid SCHEMBL7986317 0.77 ITGB3 (0.56) ITGB3ITGA2BKMT2AP2RX7HCRTR2
SCHEMBL7989510 0.77 ITGB3 (0.65) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7992731 0.77 ITGA4 (0.38) ITGB3ITGA2BP2RX7HCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL8133864 0.76 ITGB3 (0.55) ITGB3ITGA2BKMT2AP2RX7HCRTR2
SCHEMBL7986489 0.75 ITGB3 (0.64) ITGB3ITGA2BKMT2AP2RX7HCRTR2

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