SCHEMBL24313905

SCHEMBL24313905

CCS(=O)(=O)c1cc(C(C)(F)C#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.34
▸ CNR2 P34972 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ DDR1 Q08345 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL29904283 1.00 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL29904267 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL24313900 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL29904271 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL24314118 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL29904281 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL24313969 0.93 S1PR1 (0.34) S1PR1CNR2POLBKCNH2DDR1
SCHEMBL29904285 0.92 S1PR1 (0.33) S1PR1CNR2
SCHEMBL24313915 0.92 S1PR1 (0.33) S1PR1CNR2
SCHEMBL17018436 0.90 POLB (0.35) S1PR1CNR2POLBKCNH2DDR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
Send feedback