SCHEMBL28054995

SCHEMBL28054995

N#Cc1c[c]cc(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.36
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KHK P50053 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL6222350 0.79 AR (0.40)
SCHEMBL5517176 0.74 TRPV4 (0.31) TRPV4
SCHEMBL8882232 0.72 KHK (0.37) TRPV4CYP11B1CYP11B2KHK
SCHEMBL29228149 0.72 KHK (0.37) TRPV4CYP11B1CYP11B2KHKESR1
SCHEMBL11254006 0.71 CSNK1A1 (0.32) KHK
SCHEMBL9488312 0.71 TRPV4 (0.41) TRPV4CYP11B1CYP11B2KHKESR1
SCHEMBL1533157 0.71 TSHR (0.46) TRPV4ESR2
SCHEMBL16122340 0.71 TRPV4 (0.41) TRPV4CYP11B1CYP11B2KHKESR1
SCHEMBL6651902 0.69 TRPV4 (0.48) TRPV4CYP11B1CYP11B2
SCHEMBL27377 0.69

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
CN-105261789-B electrolyte and lithium ion battery including the electrolyte 宁德新能源科技有限公司 2018-07-27 CN disclosed
CN-105375065-A Electrolyte and lithium ion battery containing same NINGDE AMPEREX TECHNOLOGY LTD 2016-03-02 CN disclosed