SCHEMBL9747117

SCHEMBL9747117

N#Cc1cccc(Oc2cccc(F)c2)c1C#N.c1cc2ccc1o2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.45
SLC22A12 Q96S37 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AR P10275 5/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR1A P08908 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
EPAS1 Q99814 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9746502 0.89 VEGFA (0.48) VEGFASLC22A12FNTAFNTBPGGT1B
SCHEMBL9746867 0.88 VEGFA (0.47) VEGFASLC22A12FNTAFNTBPGGT1B
SCHEMBL9746284 0.88 SMN1; SMN2 (0.48) VEGFASLC22A12FNTAFNTBPGGT1B
SCHEMBL9746886 0.88 KDM4E (0.48) SLC22A12SMN1; SMN2KDM4EARALDH1A1
SCHEMBL9747021 0.87 VEGFA (0.45) VEGFASLC22A12FNTAFNTBPGGT1B
SCHEMBL9746156 0.86 VEGFA (0.44) VEGFASLC22A12FNTAFNTBPGGT1B
SCHEMBL9747904 0.84 POLB (0.46) SMN1; SMN2KDM4EARCNR1CNR2
SCHEMBL21352429 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EARALDH1A1CNR1
SCHEMBL9747099 0.81 KDM4E (0.49) VEGFASMN1; SMN2KDM4EARALDH1A1
SCHEMBL22904601 0.79 VEGFA (0.51) VEGFASLC22A12FNTAFNTBPGGT1B

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