SCHEMBL9747018

SCHEMBL9747018

N#Cc1cccc(Oc2ccc(F)c(Oc3ccccc3)c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
AR P10275 15/20 0.43
CYP19A1 P11511 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL9747114 0.89 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9746873 0.87 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9746799 0.87 KDM4E (0.54) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9746273 0.87 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9746110 0.86 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9745478 0.85 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9745662 0.85 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL669346 0.85 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9747099 0.85 KDM4E (0.49) KDM4ESMN1; SMN2POLBGAAAR
Ammonia Solution, Strong SCHEMBL28193306 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2POLBGAAAR

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