SCHEMBL7975397

SCHEMBL7975397

CCOC(=O)Cc1nc2c(s1)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.58
ITGA2B P08514 7/20 0.58
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA2 P00918 1/20 0.38
ADORA1 P30542 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR2 O43614 2/20 0.36
P2RX7 Q99572 1/20 0.36
CCR3 P51677 2/20 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
SCHEMBL7986520 0.93 ITGB3 (0.49) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7987548 0.90 ITGB3 (0.66) ITGB3ITGA2BCA2KMT2AHCRTR2
SCHEMBL7992652 0.85 ITGB3 (0.54) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7988424 0.84 ITGB3 (0.57) ITGB3ITGA2BLMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7986317 0.84 ITGB3 (0.56) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7962201 0.82 ITGB3 (0.83) ITGB3ITGA2BLMNACA2KMT2A
Hydrochloric Acid SCHEMBL7986123 0.81 ITGB3 (0.82) ITGB3ITGA2BLMNACA2KMT2A
Trifluoroacetic Acid SCHEMBL7989524 0.81 ITGB3 (0.52) ITGB3ITGA2BLMNAALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL8133864 0.81 ITGB3 (0.55) ITGB3ITGA2BLMNACA2ADORA1
SCHEMBL7992197 0.81 ITGB3 (0.63) ITGB3ITGA2BLMNAALDH1A1CA2

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