SCHEMBL9745662

SCHEMBL9745662

N#Cc1cccc(Oc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.45
MAPK14 Q16539 1/20 0.44
HSD11B1 P28845 1/20 0.41
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
AR P10275 4/20 0.41
CYP19A1 P11511 1/20 0.41
TLR8 Q9NR97 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
SCHEMBL9745478 1.00 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL669346 0.96 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746273 0.95 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBGAAMAPT
Ammonia Solution, Strong SCHEMBL28193306 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746110 0.93 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746326 0.93 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBGAAMAPT
Dimethylamine SCHEMBL1361903 0.90 POLB (0.53) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9746057 0.88 KDM4E (0.53) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL9359794 0.86 KDM4E (0.54) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL20511067 0.86 KDM4E (0.54) 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