SCHEMBL29525261

SCHEMBL29525261

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ PKM P14618 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL29525792 0.93 POLB (0.39) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28679591 0.91 POLB (0.39) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29525793 0.89 POLB (0.41) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL29525700 0.89 POLB (0.39) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL22776116 0.87 POLB (0.37) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29525279 0.87 POLB (0.37) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29525545 0.85 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22775965 0.84 MAOB (0.43) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22776117 0.84 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29525341 0.83 NPSR1 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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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