SCHEMBL27145437

SCHEMBL27145437

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(S(=N)(=O)C(F)(F)F)ccc2n1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR2 P34972 7/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ PTGER4 P35408 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RORC P51449 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
SCHEMBL29543391 1.00 LMNA (0.35) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17383249 0.91 LMNA (0.45) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL29542880 0.88 CNR2 (0.35) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17383123 0.86 DDR1 (0.36) SMN1; SMN2CNR2ALDH1A1RORC
SCHEMBL27153704 0.85 NPC1 (0.36) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL27148710 0.85 NPC1 (0.36) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17382576 0.84 CA12 (0.32) CNR2NPC1RAB9ACA12CA9
SCHEMBL17383192 0.84 CNR2 (0.30) CNR2NPC1RAB9A
SCHEMBL17949562 0.83 SMN1; SMN2 (0.32) SMN1; SMN2CNR2NPC1RAB9AKCNH2
SCHEMBL29543109 0.81 UTRN (0.38) LMNAHTTSMN1; SMN2NPC1RAB9A

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-4031544-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR AND SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-02-28 — — EP claimed
EP-4031544-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR AND SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-02-28 — — EP disclosed
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