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Sugi Predict / Compounds / SCHEMBL16908697

SCHEMBL16908697

SCHEMBL16908697

CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)c(F)c(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5ccc(C(=O)O)cn5)CC4)CC3)n21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 19/20 0.66
▸ TMEM97 Q5BJF2 1/20 0.54
▸ ITGB2 P05107 18/20 0.41
▸ ICAM1 P05362 18/20 0.41

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
SCHEMBL10277494 1.00 ITGAL (0.66) ITGALTMEM97ITGB2ICAM1
SCHEMBL10277214 0.94 TMEM97 (0.61) ITGALTMEM97ITGB2ICAM1
SCHEMBL10277216 0.94 TMEM97 (0.61) ITGALTMEM97ITGB2ICAM1
SCHEMBL2390010 0.92 ITGAL (0.67) ITGALTMEM97ITGB2ICAM1
SCHEMBL10277542 0.89 ITGAL (0.52) ITGALTMEM97ITGB2ICAM1
SCHEMBL10277540 0.89 ITGAL (0.52) ITGALTMEM97ITGB2ICAM1
SCHEMBL2393987 0.88 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL2394306 0.87 ITGAL (0.66) ITGALTMEM97ITGB2ICAM1
SCHEMBL2394309 0.87 ITGAL (0.66) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392736 0.87 ITGAL (0.67) ITGALTMEM97ITGB2ICAM1

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-2445914-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2015-07-22 — — EP disclosed