SCHEMBL31037064

SCHEMBL31037064

COc1nn(-c2ccccc2)c2c1cc(O)c1cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ F2 P00734 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CTRB1 P17538 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABHD16A O95870 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL31037096 0.88 CA9 (0.46) CA9PTGS2CA12F2PLAU
SCHEMBL2551285 0.82 KHK (0.52) CA9PTGS2CA12F2PLAU
SCHEMBL31037105 0.82 NPC1 (0.44) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL31037089 0.80 KHK (0.42) CA9CA12ELANENPC1RAB9A
SCHEMBL31037098 0.80 KHK (0.42) MAPTNPC1RAB9AALDH1A1KHK
SCHEMBL31037087 0.72 POLB (0.40) PTGS2MEN1KMT2ANPC1RAB9A
SCHEMBL31037047 0.70 PTPRC (0.47) CA9PTGS2CA12MAPTLMNA
SCHEMBL31037079 0.70 ATM (0.48) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28719142 0.70 CYP11B1 (0.41) PTGS2MAPTRAB9AL3MBTL1POLB
SCHEMBL31037068 0.70 CYP11B1 (0.41) PTGS2MAPTRAB9AL3MBTL1POLB

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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