SCHEMBL9746110

SCHEMBL9746110

N#Cc1cccc(Oc2cccc(Oc3ccccc3)c2)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
ALDH1A1 P00352 2/20 0.43
AR P10275 5/20 0.42
CYP19A1 P11511 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CNR1 P21554 1/20 0.42
GPR183 P32249 1/20 0.42
CNR2 P34972 1/20 0.42
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL9746273 0.98 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBGAAFNTA
SCHEMBL9745478 0.93 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9745662 0.93 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL21352429 0.93 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL669346 0.93 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EPOLBGAAALDH1A1
Ammonia Solution, Strong SCHEMBL28193306 0.92 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9746326 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9747099 0.89 KDM4E (0.49) SMN1; SMN2KDM4EPOLBGAAALDH1A1
Dimethylamine SCHEMBL1361903 0.87 POLB (0.53) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL9746873 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBGAAALDH1A1

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