SCHEMBL14641595

SCHEMBL14641595

CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(-c3ncc(OCC(CCC)CCC)cn3)c1)C(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GCG P01275 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GCGR P47871 1/20 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
SCHEMBL14641589 0.78 MET (0.49) POLBSMN1; SMN2ROCK2CHRM3
SCHEMBL13981975 0.72 MET (0.51) POLBSMN1; SMN2CHRM3MAPK1
SCHEMBL14641798 0.72 NPC1 (0.41) POLBSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL19266962 0.68 FGFR2 (0.38) CYP4F2CYP4A11
SCHEMBL13981879 0.68 ACHE (0.37) —
SCHEMBL12265753 0.66 MET (0.47) POLBMAPTTP53
SCHEMBL30685779 0.66 TSHR (0.48) POLBALDH1A1MAPK1NPSR1
SCHEMBL14641598 0.65 MET (0.57) —
SCHEMBL2542692 0.65 POLB (0.47) POLBROCK2MAPTTP53
SCHEMBL12241271 0.65 POLB (0.45) POLBMAPTTP53

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-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 — — EP disclosed
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