SCHEMBL7989575

SCHEMBL7989575

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(N)=S)cn1)C2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.62
ITGA2B P08514 3/20 0.62
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
HCRTR2 O43614 5/20 0.34
HCRTR1 O43613 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA2 P00918 1/20 0.33
CCR3 P51677 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
WDR5 P61964 1/20 0.32
P2RY12 Q9H244 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
SCHEMBL7975092 0.94 ITGB3 (0.70) ITGB3ITGA2BKMT2ALMNAHCRTR2
Trifluoroacetic Acid SCHEMBL7985744 0.90 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7986442 0.89 ITGB3 (0.63) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7988872 0.89 ITGB3 (0.61) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7992684 0.88 ITGB3 (0.56) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7986803 0.87 ITGB3 (0.61) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL7986773 0.87 ITGB3 (0.60) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7962201 0.87 ITGB3 (0.83) ITGB3ITGA2BKMT2ALMNAHCRTR2
Hydrochloric Acid SCHEMBL7986123 0.86 ITGB3 (0.82) ITGB3ITGA2BKMT2ALMNAHCRTR2
SCHEMBL8137169 0.86 ITGB3 (0.56) ITGB3ITGA2BKMT2AHCRTR2HCRTR1

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