SCHEMBL7989509

SCHEMBL7989509

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.64
ITGA2B P08514 4/20 0.64
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
HCRTR2 O43614 5/20 0.36
P2RX7 Q99572 1/20 0.35
CA2 P00918 1/20 0.34
HCRTR1 O43613 3/20 0.33
PTPN1 P18031 1/20 0.33
CCR3 P51677 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL7986765 0.94 ITGB3 (0.69) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7992637 0.92 ITGB3 (0.67) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7989392 0.91 ITGB3 (0.65) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7988421 0.90 ITGB3 (0.66) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7976869 0.90 ITGB3 (0.66) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7989161 0.90 ITGB3 (0.70) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7975713 0.89 ITGB3 (0.63) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7975964 0.89 ITGB3 (0.63) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7975504 0.89 ITGB3 (0.63) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7992590 0.89 ITGB3 (0.66) ITGB3ITGA2BKMT2ALMNAHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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