SCHEMBL30253990

SCHEMBL30253990

Cc1nn(C(C)c2ccccc2)c2c1cc(O)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ BRD4 O60885 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PLK1 P53350 3/20 0.38
▸ ATM Q13315 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CLK1 P49759 1/20 0.34

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
SCHEMBL25256662 0.85 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2MAPK1
SCHEMBL29404957 0.85 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2MAPK1
SCHEMBL29405164 0.75 MAPK1 (0.53) KDM4ELMNAMEN1KMT2AHSD17B10
SCHEMBL25256531 0.75 MAPK1 (0.53) KDM4ELMNAMEN1KMT2AHSD17B10
SCHEMBL29402024 0.74 HTT (0.43) KDM4ELMNAMEN1CASP1KMT2A
SCHEMBL25300107 0.74 HTT (0.43) KDM4ELMNAMEN1CASP1KMT2A
SCHEMBL25257835 0.70 L3MBTL1 (0.52) KDM4ELMNAMEN1KMT2ANPSR1
SCHEMBL29405442 0.70 L3MBTL1 (0.52) KDM4ELMNAMEN1KMT2ANPSR1
SCHEMBL25260679 0.70 CA9 (0.46) KDM4EPLK1LMNAMEN1KMT2A
SCHEMBL29404883 0.70 CA9 (0.46) KDM4EPLK1LMNAMEN1KMT2A

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-115956071-A Imidazoquinoline or benzindazolone compounds and intermediates for their preparation LMITO药业株式会社 2023-04-11 — — CN disclosed
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