SCHEMBL29525700

SCHEMBL29525700

CCS(=O)(=O)c1nn2cc(-c3ccc(OC(F)(F)F)cc3)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ SCN5A Q14524 4/20 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
▸ MAOB P27338 3/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL22776116 0.93 POLB (0.37) POLBNTRK1CSF1RNTRK2MEN1
SCHEMBL29525261 0.89 RAB9A (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL28679591 0.89 POLB (0.39) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL29525695 0.87 SCN5A (0.44) POLBNTRK1CSF1RNTRK2SCN5A
SCHEMBL29525792 0.86 POLB (0.39) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL22775962 0.86 NTRK1 (0.33) NTRK1CSF1RNTRK2SCN5AMAOB
SCHEMBL29525476 0.86 NTRK1 (0.33) NTRK1CSF1RNTRK2SCN5AMAOB
SCHEMBL29525816 0.85 POLB (0.41) POLBNTRK1CSF1RNTRK2SCN5A
SCHEMBL22775967 0.84 POLB (0.38) POLBNTRK1ALDH1A1PPARDTDP2
SCHEMBL22775965 0.82 MAOB (0.43) 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-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP claimed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP disclosed
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