SCHEMBL30312124

SCHEMBL30312124

COc1c(C(=O)O)cc(C)nc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ PDGFRB P09619 1/20 0.46
▸ MKNK1 Q9BUB5 3/20 0.45
▸ MKNK2 Q9HBH9 3/20 0.45
▸ DHODH Q02127 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KMO O15229 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 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
SCHEMBL30311892 0.90 MAPK1 (0.50) KDM4ECYP11B1CYP11B2PDGFRBMKNK1
SCHEMBL31464887 0.84 KDM4E (0.51) HTTKDM4ELMNAMKNK1MKNK2
SCHEMBL25463116 0.84 LMNA (0.51) HTTKDM4ELMNAMKNK1MKNK2
SCHEMBL20255018 0.76 LMNA (0.46) HTTKDM4ELMNACYP11B1CYP11B2
SCHEMBL29688687 0.76 LMNA (0.46) HTTKDM4ELMNACYP11B1CYP11B2
SCHEMBL31591514 0.75 POLB (0.50) HTTKDM4ELMNACYP11B1CYP11B2
SCHEMBL20118972 0.75 KDM4E (0.53) HTTKDM4ELMNACYP11B1CYP11B2
SCHEMBL13187708 0.73 CSF1R (0.41) —
SCHEMBL29933487 0.72 MKNK1 (0.55) CYP11B1CYP11B2MKNK1MKNK2MAPK1
SCHEMBL20118977 0.72 NPC1 (0.53) HTTKDM4ELMNAMKNK1MKNK2

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-115867542-B Novel benzimidazole compound 微境生物医药科技(上海)有限公司 2024-10-25 — — CN disclosed
CN-115867542-A Novel benzimidazole compounds 微境生物医药科技(上海)有限公司 2023-03-28 — — CN disclosed
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