SCHEMBL17609295

SCHEMBL17609295

CC[S+]([O-])c1cc(C(F)(F)F)cnc1-c1nc2ccc(Br)nc2n1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL17609333 0.85 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL20628411 0.83 POLB (0.32) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL15868304 0.82 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL17609294 0.81 MEN1 (0.32) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL14677434 0.81 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL14678192 0.81 AGPAT2 (0.36) POLBMEN1KMT2A
SCHEMBL21985371 0.80 POLB (0.37) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL15868314 0.80 ACSS2 (0.36) POLBNPC1ALDH1A1RAB9A
SCHEMBL15868311 0.79 POLB (0.41) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL30951759 0.78 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3

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-3194394-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-07-26 — — EP disclosed
WO-2016041819-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-24 — — WO disclosed
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