SCHEMBL31534723

SCHEMBL31534723

CCS(=O)(=O)c1ccc(N(C)NC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ RORC P51449 3/20 0.33
▸ DDR1 Q08345 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ QRFPR Q96P65 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ PTGER4 P35408 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
SCHEMBL18013268 1.00 NPC1 (0.34) NPC1RAB9ACNR2RORCDDR1
SCHEMBL20042495 0.89 RORC (0.36) CNR2RORCDDR1QRFPRGRIN1
SCHEMBL21715828 0.88 DDR1 (0.33) NPC1RAB9ACNR2RORCDDR1
SCHEMBL20042461 0.87 GRIN1 (0.33) NPC1RAB9ACNR2RORCDDR1
SCHEMBL31561431 0.86 S1PR1 (0.35) NPC1RAB9ACNR2RORCDDR1
SCHEMBL18013264 0.84 CNR2 (0.35) NPC1RAB9ACNR2RORCDDR1
SCHEMBL17967726 0.84 CNR2 (0.35) NPC1RAB9ACNR2RORCDDR1
SCHEMBL31534714 0.84 CNR2 (0.35) NPC1RAB9ACNR2RORCDDR1
SCHEMBL31534711 0.84 CNR2 (0.35) NPC1RAB9ACNR2RORCDDR1
SCHEMBL17967732 0.84 KCNH2 (0.38) NPC1RAB9ACNR2RORCDDR1

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-3253757-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2025-03-19 — — EP disclosed
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