SCHEMBL31037097

SCHEMBL31037097

COc1cc2c(OC)nn(-c3ccccc3)c2c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ SLC2A3 P11169 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL25252777 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31037073 0.87 POLB (0.46) KHKALDH1A1SMN1; SMN2LMNAATM
SCHEMBL31037079 0.86 ATM (0.48) KHKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31037098 0.86 KHK (0.42) KHKALDH1A1NPC1RAB9APAX8
SCHEMBL31037078 0.85 KHK (0.43) KHKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31037096 0.80 CA9 (0.46) KHKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31037099 0.76 CASR (0.42) KHKALDH1A1RAB9ALMNAATM
SCHEMBL28715241 0.76 CASR (0.42) KHKALDH1A1RAB9ALMNAATM
SCHEMBL25296130 0.76 POLB (0.56) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL29405644 0.76 POLB (0.56) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT

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-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN disclosed
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