SCHEMBL7255986

SCHEMBL7255986

COc1ccc(Nc2ccc(OCc3cccnc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
ACACB O00763 1/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR132 Q9UNW8 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL8361615 0.91 MAPK1 (0.56) CRHBPCRHR2MAPK1RAB9AGAA
SCHEMBL7260691 0.88 KMT2A (0.64) MAPK1MEN1KMT2ARAB9AACACB
SCHEMBL21340438 0.84 MAPK1 (0.56) MAPK1MEN1KMT2ARAB9AGAA
SCHEMBL28048524 0.83 MAPK1 (0.64) MAPK1MEN1KMT2ARAB9AACACB
SCHEMBL866939 0.82 NPC1 (0.60) MAPK1MEN1KMT2ARAB9AGAA
SCHEMBL7256001 0.81 GPR132 (0.61) MAPK1MEN1KMT2ARAB9AACACB
SCHEMBL6743382 0.81 NAMPT (0.61) CRHBPCRHR2MEN1KMT2AGAA
SCHEMBL22874652 0.80 MAPK1 (0.52) MAPK1MEN1KMT2ARAB9AGAA
SCHEMBL22967693 0.80 MAPK1 (0.52) MAPK1MEN1KMT2ARAB9AGAA
SCHEMBL21628242 0.80 KDM4E (0.65) MAPK1MEN1KMT2ARAB9AGAA

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-2003033467-A1 NITROSO DIPHENYLAMINE DERIVATIVES AS NITROGEN MONOXIDE GENERATING AGENTS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed