SCHEMBL15949092

SCHEMBL15949092

Cc1cc(C(=O)C[C@H](c2ccc(-c3cncnc3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.62
CTSA P10619 10/20 0.41
WNT3A P56704 3/20 0.40
NR3C2 P08235 1/20 0.39
HDAC4 P56524 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL15949094 1.00 GPBAR1 (0.62) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL363310 0.89 GPBAR1 (0.78) GPBAR1CTSAWNT3ANR3C2PSEN1
SCHEMBL362812 0.89 GPBAR1 (0.78) GPBAR1CTSAWNT3ANR3C2PSEN1
SCHEMBL365538 0.89 GPBAR1 (0.78) GPBAR1CTSAWNT3ANR3C2PSEN1
SCHEMBL15949005 0.88 GPBAR1 (0.49) GPBAR1CTSAHDAC4
SCHEMBL1390447 0.87 GPBAR1 (0.62) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL1390446 0.87 GPBAR1 (0.62) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL369406 0.86 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL1389699 0.86 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4
SCHEMBL369407 0.86 GPBAR1 (0.77) GPBAR1CTSAWNT3ANR3C2HDAC4

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 claimed