SCHEMBL30799002

SCHEMBL30799002

Cc1nc2cc(-c3cc(C(=O)O)cc(F)c3CO)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHODH Q02127 10/20 0.42
BRD4 O60885 5/20 0.40
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A2 P43354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29172010 1.00 HSP90AA1 (0.45) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL30848109 0.90 BRD4 (0.39) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL29172062 0.90 BRD4 (0.39) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL30848100 0.88 BRD4 (0.40) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL29172064 0.85 HSP90AA1 (0.48) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL30848142 0.85 HSP90AA1 (0.48) HSP90AA1ESR2TDP1DHODHBRD4
SCHEMBL29171983 0.85 BRD4 (0.38) DHODHBRD4POLBRAB9ASMN1; SMN2
SCHEMBL30799128 0.85 BRD4 (0.38) DHODHBRD4POLBRAB9ASMN1; SMN2
SCHEMBL29172156 0.84 HSP90AA1 (0.43) HSP90AA1ESR2TDP1DHODHGRIK1
SCHEMBL30848248 0.84 HSP90AA1 (0.43) HSP90AA1ESR2TDP1DHODHGRIK1

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