SCHEMBL9746465

SCHEMBL9746465

N#Cc1cccc(Oc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
AR P10275 13/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.44
GPR183 P32249 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9746159 0.96 POLB (0.50) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL20511373 0.96 POLB (0.52) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL30360764 0.96 POLB (0.52) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL9746161 0.92 POLB (0.49) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL9745713 0.89 KDM4E (0.49) POLBARKDM4ESMN1; SMN2
SCHEMBL9747054 0.89 POLB (0.46) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL9747904 0.89 POLB (0.46) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL9746049 0.88 POLB (0.46) POLBARKDM4ESMN1; SMN2CYP1A2
SCHEMBL22719774 0.85 AR (0.50) POLBARCYP1A2CYP2C9CYP2C19
SCHEMBL29558965 0.85 AR (0.50) POLBARCYP1A2CYP2C9CYP2C19

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