SCHEMBL7604551

SCHEMBL7604551

N#Cc1ccc(-c2ccc(C#N)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.56
AR P10275 6/20 0.52
KIF11 P52732 2/20 0.50
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PDK2 Q15119 1/20 0.45
P4HB P07237 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NSD2 O96028 1/20 0.39
SLC22A12 Q96S37 4/20 0.39
TMPRSS4 Q9NRS4 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
SCHEMBL28668535 0.88 KIF11 (0.57) TRPV4ARKIF11PDK2P4HB
SCHEMBL2371259 0.85 AR (0.47) TRPV4ARKIF11GLAGAA
SCHEMBL21046587 0.85 AR (0.46) TRPV4ARKIF11GLAGAA
SCHEMBL29914875 0.85 AR (0.46) TRPV4ARKIF11GLAGAA
SCHEMBL25658407 0.85 KIF11 (0.46) TRPV4ARKIF11GLAPOLB
SCHEMBL7569957 0.84 TRPV4 (0.58) TRPV4ARKIF11PDK2P4HB
SCHEMBL17955138 0.84 KIF11 (0.53) TRPV4ARKIF11GAAPDK2
SCHEMBL25658392 0.84 KIF11 (0.49) TRPV4ARKIF11GLAPOLB
SCHEMBL25658402 0.83 KIF11 (0.45) TRPV4ARKIF11GLAPOLB
SCHEMBL25658385 0.83 KIF11 (0.45) TRPV4ARKIF11GLAPOLB

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
JP-2002105030-A METHOD FOR PRODUCING 2,2'-BIS(TRIFLUOROMETHYL)-4,4'- BIPHENYLDICARBOXYLIC ACID NIPPON KAYAKU CO LTD 2002-04-10 JP disclosed
JP-2001039917-A PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)-4,4'- BIPHENYLDICARBOXYLIC ACID SUMITOMO BAKELITE CO LTD 2001-02-13 JP disclosed