SCHEMBL7992652

SCHEMBL7992652

CCOC(=O)Cc1sc2c(c1C)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
LMNA P02545 1/20 0.42
CA2 P00918 1/20 0.39
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 2/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
PLG P00747 1/20 0.34

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 SCHEMBL7989524 0.96 ITGB3 (0.52) ITGB3ITGA2BLMNACA2ADORA1
Trifluoroacetic Acid SCHEMBL7986156 0.90 ITGB3 (0.51) ITGB3ITGA2BLMNACA2ADORA1
Trifluoroacetic Acid SCHEMBL7986955 0.89 ITGB3 (0.49) ITGB3ITGA2BLMNACA2ADORA1
SCHEMBL7988424 0.87 ITGB3 (0.57) ITGB3ITGA2BLMNACA2ADORA1
Hydrochloric Acid SCHEMBL7986317 0.86 ITGB3 (0.56) ITGB3ITGA2BLMNACA2ADORA1
SCHEMBL7989356 0.85 ADORA1 (0.52) ITGB3ITGA2BLMNAADORA1KMT2A
SCHEMBL7975397 0.85 ITGB3 (0.58) ITGB3ITGA2BLMNACA2ADORA1
Trifluoroacetic Acid SCHEMBL8133864 0.83 ITGB3 (0.55) ITGB3ITGA2BLMNACA2ADORA1
SCHEMBL7986435 0.83 ADORA1 (0.40) ITGB3ITGA2BLMNACA2ADORA1
SCHEMBL7986489 0.81 ITGB3 (0.64) ITGB3ITGA2BLMNACA2KMT2A

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