SCHEMBL19283559

SCHEMBL19283559

CCS(=O)(=O)c1ccc2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)ncc4n3C)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.37
▸ CNR2 P34972 10/20 0.36
▸ RORC P51449 2/20 0.36
▸ ACSS2 Q9NR19 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL19299911 0.93 KCNH2 (0.33) KCNH2CNR2RORCNPC1RAB9A
SCHEMBL18050222 0.92 S1PR1 (0.34) KCNH2RORCS1PR1
SCHEMBL19299912 0.92 KCNH2 (0.35) KCNH2RORCNPC1RAB9A
SCHEMBL19299797 0.91 MAPT (0.36) KCNH2RORCLMNAHTTSMN1; SMN2
SCHEMBL19299809 0.90 RORC (0.34) KCNH2CNR2RORCACSS2NPC1
SCHEMBL19299910 0.87 KCNH2 (0.33) KCNH2CNR2RORCNPC1RAB9A
SCHEMBL19299811 0.86 MAPT (0.35) CNR2
SCHEMBL20547209 0.85 KCNH2 (0.32) KCNH2RORC
SCHEMBL21875179 0.83 KCNH2 (0.33) KCNH2CNR2RORCNPC1RAB9A
SCHEMBL21948872 0.83 ADORA2A (0.33) KCNH2CNR2RORCNPC1RAB9A

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
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 — — WO disclosed
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 — — WO disclosed
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