SCHEMBL24868767

SCHEMBL24868767

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ MAOB P27338 1/20 0.33
▸ DDR1 Q08345 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ PKM P14618 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
SCHEMBL24868773 0.92 POLB (0.41) POLBMAOBDDR1ALDH1A1S1PR1
SCHEMBL21265226 0.91 POLB (0.41) POLBDDR1ALDH1A1S1PR1PKM
SCHEMBL24868760 0.89 POLB (0.40) POLBDDR1MEN1NPC1ALDH1A1
SCHEMBL24868774 0.88 POLB (0.40) POLBMAOBDDR1MEN1NPC1
SCHEMBL19993456 0.87 POLB (0.43) POLBALDH1A1KMT2AS1PR1PKM
SCHEMBL24868761 0.84 POLB (0.41) POLBMAOBDDR1MEN1NPC1
SCHEMBL20636704 0.82 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL19993455 0.82 POLB (0.40) POLBDDR1MEN1NPC1ALDH1A1
SCHEMBL19993256 0.81 POLB (0.41) POLBALDH1A1RAB9APKM
SCHEMBL25106687 0.80 POLB (0.41) POLBMAOBDDR1MEN1NPC1

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-2023280999-A1 INSECT, ACARINA AND NEMATODE PEST CONTROL SYNGENTA CROP PROTECTION AG (CH) 2023-01-12 — — WO disclosed
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