SCHEMBL8137169

SCHEMBL8137169

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
CCR3 P51677 3/20 0.32
HCRTR2 O43614 4/20 0.32
KMT2A Q03164 3/20 0.32
HCRTR1 O43613 2/20 0.32
ALDH1A1 P00352 2/20 0.32
P2RY12 Q9H244 2/20 0.31
P2RX7 Q99572 1/20 0.31
ATM Q13315 1/20 0.31
WDR5 P61964 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL8132941 0.89 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL8130261 0.89 ITGB3 (0.58) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL8134308 0.88 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL7975092 0.87 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL8133316 0.87 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL7992684 0.86 ITGB3 (0.56) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL7989575 0.86 ITGB3 (0.62) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
Trifluoroacetic Acid SCHEMBL7985744 0.84 ITGB3 (0.67) ITGB3ITGA2BCCR3HCRTR2KMT2A
SCHEMBL7962201 0.81 ITGB3 (0.83) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3
SCHEMBL7989161 0.81 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2RAB9ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed