SCHEMBL8767378

SCHEMBL8767378

C=CCc1ccc(-c2ccccc2F)c(-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.48
CYP11B2 P19099 6/20 0.48
KDM1A O60341 11/20 0.43
KCNJ1 P48048 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
RXRA P19793 1/20 0.38
CNR1 P21554 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
CNR2 P34972 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL2722893 0.79 TRPV4 (0.52) CYP11B1CYP11B2KCNJ1MEN1ALOX5
SCHEMBL14555723 0.77 CYP11B1 (0.68) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL3304437 0.77 CYP11B1 (0.72) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL8768626 0.73 CYP19A1 (0.39) CYP11B1CYP11B2MEN1POLBALOX5
SCHEMBL28880915 0.71 ALDH1A1 (0.44) MEN1POLBALOX5GAAMAPT
SCHEMBL5573395 0.71 CYP19A1 (0.51) MEN1POLBALOX5GAAMAPT
SCHEMBL8379621 0.71 CYP11B1 (0.47) CYP11B1CYP11B2KDM1AKCNJ1
SCHEMBL4820484 0.71 CYP11B1 (0.47) CYP11B1CYP11B2KDM1AKCNJ1
SCHEMBL5573402 0.70 ESR2 (0.54) MEN1GABRA5GABRA3CNR2KMT2A
SCHEMBL4620939 0.70 GABRA1 (0.41) CYP11B1CYP11B2KDM1AMEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440643-B1 FLUORINATED 4''-CYANO SUBSTITUTED TERPHENYLS SECR DEFENCE BRIT (GB) 1997-09-03 EP claimed