SCHEMBL8440306

SCHEMBL8440306

Cc1c(S)c(-c2cc(F)c(C#N)cc2F)nn1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
EGLN2 Q96KS0 7/20 0.38
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
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
SCHEMBL8444288 0.74 TRPV4 (0.45) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL7967445 0.73 TRPV4 (0.37) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8441483 0.73 CYP11B1 (0.35) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8436898 0.70 EGLN2 (0.33) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8604204 0.70 EGLN2 (0.33) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL8444200 0.70 TRPV4 (0.39) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL7162190 0.69 EGLN2 (0.33) TRPV4EGLN2
SCHEMBL7161842 0.69 EGLN2 (0.32) TRPV4EGLN2
SCHEMBL8441446 0.69 EGLN2 (0.37) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL20444106 0.69 TRPV4 (0.60) TRPV4EGLN2PDE4APDE4BPDE4C

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