SCHEMBL8440309

SCHEMBL8440309

CSc1cc(-c2cc(F)c(C#N)cc2F)nn1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
EGLN2 Q96KS0 5/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 1/20 0.32
AR P10275 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
SCHEMBL8604721 0.85 TRPV4 (0.33) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8444200 0.81 TRPV4 (0.39) TRPV4CYP11B1CYP11B2EGLN2PDE4A
SCHEMBL8444288 0.80 TRPV4 (0.45) TRPV4CYP11B1CYP11B2EGLN2PDE4A
SCHEMBL8444970 0.78 TRPV4 (0.39) TRPV4CYP11B1CYP11B2EGLN2PDE4A
SCHEMBL8604722 0.77 TRPV4 (0.35) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8602596 0.75 TRPV4 (0.36) TRPV4CYP11B1CYP11B2EGLN2PDE4A
SCHEMBL9529172 0.74 F2RL3 (0.39)
SCHEMBL9529749 0.74 GRM5 (0.33)
SCHEMBL8441483 0.73 CYP11B1 (0.35) TRPV4CYP11B1CYP11B2EGLN2PDE4A
SCHEMBL8438924 0.69 EGLN2 (0.36) TRPV4CYP11B1CYP11B2EGLN2PDE4A

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
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed