SCHEMBL364806

SCHEMBL364806

Cc1cc(/C(C[C@H](c2ccc(N3CCCCC3)cc2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.66
CTSA P10619 2/20 0.38
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.34
KCNQ2 O43526 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NR3C2 P08235 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL15949001 1.00 GPBAR1 (0.66) GPBAR1CTSACNR2MEN1KMT2A
SCHEMBL15949002 1.00 GPBAR1 (0.66) GPBAR1CTSACNR2MEN1KMT2A
SCHEMBL15949004 1.00 GPBAR1 (0.66) GPBAR1CTSACNR2MEN1KMT2A
SCHEMBL364478 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389750 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL363168 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389748 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1390247 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389745 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1390244 0.92 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed