SCHEMBL8436898

SCHEMBL8436898

Cn1nc(-c2cc(F)c(C#N)cc2F)c(Br)c1SC(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.33
TRPV4 Q9HBA0 1/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8441483 0.86 CYP11B1 (0.35) EGLN2TRPV4CYP11B1CYP11B2PDE4A
SCHEMBL7161842 0.80 EGLN2 (0.32) EGLN2TRPV4
SCHEMBL8604204 0.76 EGLN2 (0.33) EGLN2TRPV4PDE4APDE4BPDE4C
SCHEMBL8604721 0.75 TRPV4 (0.33) EGLN2TRPV4PDE4APDE4BPDE4C
SCHEMBL8440306 0.70 TRPV4 (0.42) EGLN2TRPV4CYP11B1CYP11B2PDE4A
SCHEMBL7162245 0.70 GAA (0.33) CYP11B2
SCHEMBL7162190 0.70 EGLN2 (0.33) EGLN2TRPV4
SCHEMBL8441031 0.70 AR (0.30)
SCHEMBL8434096 0.69 KDM1A (0.32)
SCHEMBL7967445 0.68 TRPV4 (0.37) EGLN2TRPV4CYP11B1CYP11B2PDE4A

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