SCHEMBL19145535

SCHEMBL19145535

Bc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
PPARD Q03181 9/20 0.47
PPARA Q07869 8/20 0.47
PPARG P37231 4/20 0.47
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
NTSR1 P30989 3/20 0.40
KMO O15229 1/20 0.38

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
SCHEMBL30103437 0.81 KMT2A (0.62) KMT2APPARDPPARAPPARGITGB3
SCHEMBL4234811 0.81 KMT2A (0.62) KMT2APPARDPPARAPPARGITGB3
SCHEMBL28607801 0.80 KMT2A (0.60) KMT2APPARDPPARAPPARGITGB3
SCHEMBL1576340 0.80 KMT2A (0.60) KMT2APPARDPPARAPPARG
SCHEMBL5537950 0.80 KMT2A (0.60) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL418013 0.80 KMT2A (0.60) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL9702533 0.80 KMT2A (0.60) KMT2APPARDPPARAPPARGKMO
SCHEMBL12320222 0.78 KMT2A (0.57) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL14947702 0.78 KMT2A (0.66) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL9191040 0.78 KMT2A (0.57) KMT2APPARDPPARAPPARGITGB3

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
WO-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 WO disclosed