SCHEMBL9748856

SCHEMBL9748856

N#Cc1cccc(Oc2ccc(C(F)(F)F)cc2)c1C#N.c1cc2cc(c1)O2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 1/20 0.41
AR P10275 15/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
CNR1 P21554 1/20 0.38
GPR183 P32249 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL9745713 0.90 KDM4E (0.49) KDM4ESMN1; SMN2SCN9AARPOLB
SCHEMBL9747054 0.89 POLB (0.46) KDM4ESMN1; SMN2ARPOLBMEN1
SCHEMBL9745664 0.88 KDM4E (0.46) KDM4ESMN1; SMN2SCN9AARPOLB
SCHEMBL9745871 0.87 KDM4E (0.47) KDM4ESMN1; SMN2ARPOLBGAA
SCHEMBL9745956 0.86 KDM4E (0.45) KDM4ESMN1; SMN2SCN9AARPOLB
SCHEMBL9746465 0.82 POLB (0.49) KDM4ESMN1; SMN2ARPOLBMEN1
SCHEMBL20511373 0.80 POLB (0.52) KDM4ESMN1; SMN2ARPOLBMEN1
SCHEMBL1374637 0.80 KDM4E (0.48) KDM4ESMN1; SMN2SCN9AARPOLB
SCHEMBL30360764 0.80 POLB (0.52) KDM4ESMN1; SMN2ARPOLBMEN1
SCHEMBL9747021 0.80 VEGFA (0.45) KDM4ESMN1; SMN2ARPOLBGAA

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