SCHEMBL30799136

SCHEMBL30799136

Cc1nc2cc(-c3cc(C(=O)N(C)C)cc(F)c3O)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.41
ERN1 O75460 2/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5AP P20292 1/20 0.38
MGLL Q99685 1/20 0.37
DHODH Q02127 1/20 0.36
ATR Q13535 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL29172064 0.88 HSP90AA1 (0.48) BRD4HSP90AA1ESR2TDP1DHODH
SCHEMBL30848142 0.88 HSP90AA1 (0.48) BRD4HSP90AA1ESR2TDP1DHODH
SCHEMBL29172080 0.87 BRD4 (0.40) BRD4ERN1HSP90AA1ESR2TDP1
SCHEMBL30798802 0.87 BRD4 (0.40) BRD4ERN1HSP90AA1ESR2TDP1
SCHEMBL30848100 0.87 BRD4 (0.40) BRD4TLR8TLR7HSP90AA1ESR2
SCHEMBL30798881 0.86 BRD4 (0.41) BRD4TLR8TLR7HSP90AA1ESR2
SCHEMBL30798918 0.86 TLR8 (0.41) BRD4TLR8TLR7HSP90AA1ESR2
SCHEMBL29171852 0.85 BRD4 (0.52) BRD4ERN1HSP90AA1ESR2TDP1
SCHEMBL30798711 0.85 BRD4 (0.52) BRD4ERN1HSP90AA1ESR2TDP1
SCHEMBL30848233 0.84 HSP90AA1 (0.42) BRD4ERN1TLR8TLR7HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585588-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Pharmavan Co., Ltd. (CN) 2025-07-16 EP disclosed
CN-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed
WO-2024051354-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州沪云新药研发股份有限公司 2024-03-14 WO disclosed