SCHEMBL30798705

SCHEMBL30798705

OB(O)Oc1ccc2[nH]cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
PRKCI P41743 1/20 0.37
QPCT Q16769 2/20 0.37
P2RY14 Q15391 3/20 0.36
CYP3A4 P08684 1/20 0.36
P2RY6 Q15077 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29171856 1.00 MMP12 (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL225931 0.77 MMP12 (0.73) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL29919790 0.77 MMP12 (0.73) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL5046499 0.76 MMP12 (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL3997475 0.75 RAB9A (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL30799511 0.75 RAB9A (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL4606421 0.74 MMP12 (0.47) MMP12KDM4EALDH1A1HDAC6QPCT
SCHEMBL6364797 0.74 MMP12 (0.46) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL3162533 0.74 MMP12 (0.50) MMP12MAPTKDM4EALDH1A1RAB9A
SCHEMBL1875326 0.73 MMP12 (0.46) MMP12KDM4EALDH1A1CYP3A4RAB9A

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
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