SCHEMBL31561431

SCHEMBL31561431

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ RORC P51449 4/20 0.34
▸ DDR1 Q08345 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ STIM1 Q13586 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31

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
SCHEMBL18013207 0.90 DDR1 (0.33) S1PR1LRRK2RORCDDR1CNR2
SCHEMBL31534709 0.90 DDR1 (0.33) S1PR1LRRK2RORCDDR1CNR2
SCHEMBL30051769 0.89 RORC (0.34) RORCDDR1
SCHEMBL20042377 0.89 RORC (0.34) RORCDDR1
SCHEMBL31534713 0.89 JAK1 (0.38) RORCDDR1
SCHEMBL17967731 0.89 JAK1 (0.38) RORCDDR1
SCHEMBL18013206 0.88 DDR1 (0.33) S1PR1RORCDDR1CNR2KCNH2
SCHEMBL21715831 0.88 DDR1 (0.35) RORCDDR1
SCHEMBL31534724 0.88 DDR1 (0.33) S1PR1RORCDDR1CNR2KCNH2
SCHEMBL18013264 0.87 CNR2 (0.35) S1PR1RORCDDR1CNR2KCNH2

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
CN-113811532-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达农作物保护股份公司 2025-04-11 — — CN disclosed
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