SCHEMBL17901855

SCHEMBL17901855

Cc1cc(C(F)(F)F)cnc1-c1nc2cc(SC(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KIT P10721 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
SCHEMBL17901849 0.87 POLB (0.32) POLBAGBL2
SCHEMBL17901811 0.86 POLB (0.36) POLB
SCHEMBL17895956 0.84 POLB (0.35) POLBAGBL2ALDH1A1PKM
SCHEMBL20847510 0.83 POLB (0.32) POLB
SCHEMBL17901848 0.81 AGBL2 (0.35) POLBAGBL2KDM4EALDH1A1NPC1
SCHEMBL19755914 0.78 — —
SCHEMBL17901875 0.77 POLB (0.39) POLBAGBL2KDM4EALDH1A1
SCHEMBL19755915 0.77 POLB (0.37) POLBAGBL2KDM4EALDH1A1
SCHEMBL17901879 0.76 — —
SCHEMBL20847336 0.76 — —

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
WO-2016107831-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2016-07-07 — — WO disclosed
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