SCHEMBL8049906

SCHEMBL8049906

N#Cc1cc(Cl)c(C#N)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.41
KHK P50053 1/20 0.36
CYP11B2 P19099 4/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 2/20 0.32
VCAM1 P19320 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
CYP11B1 P15538 2/20 0.31

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
SCHEMBL8045190 0.87 ALDH1A1 (0.37) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL7768183 0.83 TRPV4 (0.36) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL8664249 0.82 TRPV4 (0.39) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL21574928 0.81 TRPV4 (0.41) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL16122585 0.81 ALDH1A1 (0.36) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL7202604 0.80 TRPV4 (0.38) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL8046873 0.77 TRPV4 (0.48) TRPV4KHKCYP11B2ALDH1A1CYP11B1
SCHEMBL9447114 0.77 TRPV4 (0.35) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL8727200 0.76 TRPV4 (0.38) TRPV4KHKCYP11B2ALDH1A1MAPK1
SCHEMBL31621319 0.75 MAPK1 (0.48) TRPV4KHKCYP11B2ALDH1A1MAPK1

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
US-6020517-A Process for production of benzonitrile and benzyl alcohol SHOWA DENKO K.K. (JP) 2000-02-01 US disclosed