SCHEMBL7215549

SCHEMBL7215549

N=C(N)SCCNc1ccn2c(=O)c(C(=O)NC(CC(=O)OC(=O)C(F)(F)F)c3ccccc3)ccc2c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 2/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ MMP12 P39900 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
Trifluoroacetic Acid SCHEMBL7215541 0.89 CYP26A1 (0.36) F2ITGB3ITGA2BMMP12
SCHEMBL7216223 0.84 MCL1 (0.32) —
SCHEMBL7216322 0.82 KCNK3 (0.32) TACR3F2F10ITGB3ITGA2B
SCHEMBL7222172 0.79 MAPT (0.36) TACR3F2F10ITGB3ITGA2B
SCHEMBL7222362 0.76 TACR3 (0.32) TACR3
SCHEMBL7217812 0.76 CTSA (0.43) DCAF1MMP12
Trifluoroacetic Acid SCHEMBL7216213 0.73 ITGB3 (0.34) ITGB3ITGA2BMMP12
SCHEMBL7379959 0.73 CYP26A1 (0.42) MMP12
SCHEMBL7376518 0.71 CYP26A1 (0.41) —
Trifluoroacetic Acid SCHEMBL7216313 0.71 MCHR1 (0.35) F2ITGB3ITGA2BMMP12

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-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 — — US claimed
US-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 — — US disclosed
EP-1115724-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2001-07-18 — — EP disclosed
WO-2000017197-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS BIOCHEM PHARMA INC. (US) 2000-03-30 — — WO disclosed
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