SCHEMBL9745871

SCHEMBL9745871

N#Cc1cccc(Oc2ccc(F)cc2)c1C#N.c1cc2cc(c1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 8/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR8 Q9NR97 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9359794 0.90 KDM4E (0.54) KDM4ESMN1; SMN2POLBGAACYP1A2
SCHEMBL9747021 0.89 VEGFA (0.45) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9746057 0.88 KDM4E (0.53) KDM4ESMN1; SMN2POLBGAACYP1A2
SCHEMBL9748856 0.87 KDM4E (0.44) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9745883 0.86 KDM4E (0.50) KDM4ESMN1; SMN2POLBGAACYP1A2
SCHEMBL9747099 0.86 KDM4E (0.49) KDM4ESMN1; SMN2POLBGAACYP1A2
SCHEMBL9746886 0.84 KDM4E (0.48) KDM4ESMN1; SMN2POLBGAACYP1A2
SCHEMBL9746284 0.82 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9747054 0.81 POLB (0.46) KDM4ESMN1; SMN2POLBCYP1A2CYP2C19
SCHEMBL9746799 0.80 KDM4E (0.54) 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