SCHEMBL24338474

SCHEMBL24338474

COC(=O)c1cc(Cl)cc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SLC40A1 Q9NP59 2/20 0.46
KDR P35968 1/20 0.45
PSMD14 O00487 1/20 0.45
MAP2K1 Q02750 1/20 0.44
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL29046675 0.84 KDM4E (0.55) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL18369670 0.84 PSMD14 (0.51) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL1228229 0.82 KDM4E (0.50) KDM4EMEN1KMT2AALOX15HTT
SCHEMBL744645 0.81 ALDH1A1 (0.53) KDM4EMEN1KMT2AALOX15ALDH1A1
SCHEMBL27903815 0.80 KDM4E (0.48) KDM4EMEN1KMT2AALOX15HTT
SCHEMBL344528 0.80 ALDH1A1 (0.65) KDM4EMEN1KMT2AALOX15HTT
SCHEMBL29449220 0.79 KDM4E (0.47) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL13515356 0.79 KDM4E (0.47) KDM4EMEN1KMT2AALOX15HTT
SCHEMBL28487943 0.79 KDM4E (0.47) KDM4EALOX15HTTALDH1A1SLC40A1
SCHEMBL17595923 0.79 TDP1 (0.47) KDM4EMEN1KMT2AALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed