SCHEMBL21925082

SCHEMBL21925082

CC[S+]([O-])c1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C9 P11712 1/20 0.33
▸ AGPAT2 O15120 4/20 0.32
▸ HSD11B1 P28845 3/20 0.32
▸ CCR9 P51686 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PDE2A O00408 2/20 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
SCHEMBL21925109 0.89 KDM4E (0.37) KDM4EALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL21925088 0.88 NPC1 (0.33) ALDH1A1
SCHEMBL22201108 0.88 PDE2A (0.32) KDM4ECYP2C9AGPAT2PDE2A
SCHEMBL22201180 0.85 MAPT (0.33) —
SCHEMBL24286075 0.82 MEN1 (0.32) KMT2A
SCHEMBL20632928 0.82 KDM4E (0.31) KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL22201085 0.82 PPARG (0.31) PDE2A
SCHEMBL24286076 0.81 TP53 (0.33) KDM4EALDH1A1HPGDLMNA
SCHEMBL17529564 0.81 CYP1A2 (0.35) ALDH1A1CYP1A2
SCHEMBL31476269 0.81 CYP1A2 (0.35) ALDH1A1CYP1A2

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-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP claimed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
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