SCHEMBL365266

SCHEMBL365266

COc1ccc(C(CC=O)(c2ccc(Br)cc2)c2ccc(F)cc2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
P2RX7 Q99572 1/20 0.35
OXTR P30559 8/20 0.34
AVPR1A P37288 3/20 0.34
KMT2A Q03164 2/20 0.34
TDO2 P48775 1/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA2B P29275 1/20 0.32
TACR1 P25103 1/20 0.32
AVPR2 P30518 1/20 0.32
OPRK1 P41145 1/20 0.32
GHSR Q92847 1/20 0.32
RECQL P46063 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31

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
SCHEMBL362683 0.86 ERN1 (0.38) ERN1KMT2AMEN1PABPC1RECQL
SCHEMBL362960 0.83 ERN1 (0.36) ERN1LMNA
SCHEMBL371298 0.81 ERN1 (0.35) ERN1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL363931 0.73 TSHR (0.39) OXTRAVPR1AKMT2AMEN1PABPC1
SCHEMBL364766 0.72 GPR183 (0.33)
SCHEMBL363777 0.72 KMT2A (0.39) OXTRKMT2AMEN1PABPC1SMN1; SMN2
SCHEMBL362479 0.69 HDAC3 (0.30)
SCHEMBL363254 0.66 TDO2 (0.36) ERN1OXTRAVPR1AKMT2ATDO2
SCHEMBL364445 0.65 CYP3A4 (0.35)
SCHEMBL363251 0.63 KCNH2 (0.33)

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