SCHEMBL363152

SCHEMBL363152

COc1ccc(C(C(C)=O)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
NNMT P40261 1/20 0.44
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.42
OXTR P30559 1/20 0.42
LMNA P02545 3/20 0.41
PABPC1 P11940 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL363964 0.80 GPR183 (0.38) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL365148 0.79 SMN1; SMN2 (0.38) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL2316036 0.77 KCNN4 (0.53) KCNN4NPC1RAB9AKMT2AMEN1
SCHEMBL12187544 0.76 NPC1 (0.41) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL3523419 0.76 KCNN4 (0.58) KCNN4KMT2AALDH1A1MAPTNPSR1
SCHEMBL38656126 0.74 NNMT (0.49) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL22285418 0.73 NNMT (0.47) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL22079377 0.73 NNMT (0.48) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL363777 0.71 KMT2A (0.39) NPC1RAB9ANNMTKMT2AMEN1
SCHEMBL31292187 0.70 BRS3 (0.50) NPC1RAB9ANNMTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed