SCHEMBL9746326

SCHEMBL9746326

N#Cc1cccc(Oc2ccccc2Oc2ccccc2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.39
PIN1 Q13526 1/20 0.39
HIF1A Q16665 1/20 0.39
SCN9A Q15858 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
AR P10275 2/20 0.38

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
SCHEMBL669346 0.96 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EPOLBGAAMAPT
Ammonia Solution, Strong SCHEMBL28193306 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9745478 0.93 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9745662 0.93 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL8626899 0.91 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9746110 0.90 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EPOLBGAAMAPT
Dimethylamine SCHEMBL1361903 0.90 POLB (0.53) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746273 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746151 0.89 SCN9A (0.48) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL17090701 0.87 MAPT (0.47) SMN1; SMN2KDM4EPOLBGAAMAPT

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
US-5118431-A Phthalonitriles and phthalocyanines as lubricity-enhancing additives THE DOW CHEMICAL COMPANY (US) 1992-06-02 US disclosed
US-5061388-A Novel phthalonitriles and phthalocyanines as lubricity-enhancing additives THE DOW CHEMICAL COMPANY (US) 1991-10-29 US disclosed