SCHEMBL31596383

SCHEMBL31596383

O=C(O)Cn1c(C2CC2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
POLB P06746 1/20 0.66
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
APEX1 P27695 1/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL3969653 0.81 ALDH1A1 (0.61) USP2POLBALDH1A1GAAHRH1
SCHEMBL18991537 0.80 USP2 (1.00) USP2POLBKDM4EKMT2AHRH1
SCHEMBL6243182 0.80 AGTR1 (0.61) USP2POLBALDH1A1GAAHRH1
SCHEMBL7253536 0.78 ALDH1A1 (0.65) USP2POLBKDM4EHSD17B10ALDH1A1
SCHEMBL3969006 0.76 USP2 (0.61) USP2POLBALDH1A1GAAHRH1
SCHEMBL31596378 0.76 ALDH1A1 (0.58) USP2POLBALDH1A1GAAHRH1
SCHEMBL3587930 0.75 KDM4E (0.69) KDM4EHSD17B10APEX1ALDH1A1PTGDR2
SCHEMBL4288066 0.75 KDM4E (0.65) KDM4EHSD17B10APEX1ALDH1A1PTGDR2
SCHEMBL4292873 0.75 KDM4E (0.65) KDM4EHSD17B10APEX1ALDH1A1PTGDR2
SCHEMBL11145191 0.75 KDM4E (0.65) KDM4EHSD17B10APEX1ALDH1A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058616-A 2-Substituted-1H-benzimidazole compound, and preparation method and application thereof 宜昌市中心人民医院(三峡大学第一临床医学院、三峡大学附属中心人民医院) 2025-05-30 CN disclosed