SCHEMBL21375986

SCHEMBL21375986

CCSc1sc(-c2cc(F)cc(F)c2)nc1-c1nc2cc(SC(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DCK P27707 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL21376060 0.87 PTGDR2 (0.33) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL18179639 0.85 — —
SCHEMBL18179760 0.84 MEN1 (0.32) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL20847450 0.76 — —
SCHEMBL18173863 0.75 LMNA (0.36) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL20047394 0.75 — —
SCHEMBL22189258 0.74 — —
SCHEMBL17901811 0.74 POLB (0.36) —
SCHEMBL18179614 0.74 CYP19A1 (0.33) —
SCHEMBL18173832 0.73 — —

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-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
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