SCHEMBL29404957

SCHEMBL29404957

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ESR1 P03372 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MPO P05164 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ TRPM4 Q8TD43 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KHK P50053 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AURKA O14965 2/20 0.33

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 1.00 KDM4E (0.42) KDM4ELMNAHTTESR1SMN1; SMN2
SCHEMBL30253990 0.85 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2GAA
SCHEMBL31037059 0.81 MPO (0.43) KDM4ELMNAHTTESR1SMN1; SMN2
SCHEMBL25301757 0.79 PDE1A (0.44) KDM4ELMNASMN1; SMN2PDE1APDE1B
SCHEMBL29402024 0.79 HTT (0.43) KDM4ELMNAHTTGAAPOLB
SCHEMBL25300107 0.79 HTT (0.43) KDM4ELMNAHTTGAAPOLB
SCHEMBL25256531 0.76 MAPK1 (0.53) KDM4ELMNAHTTSMN1; SMN2POLB
SCHEMBL29405164 0.76 MAPK1 (0.53) KDM4ELMNAHTTSMN1; SMN2POLB
SCHEMBL25300047 0.75 HTT (0.40) KDM4ELMNAHTTESR1SMN1; SMN2
SCHEMBL29402334 0.75 HTT (0.40) KDM4ELMNAHTTESR1SMN1; SMN2

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-115956071-A Imidazoquinoline or benzindazolone compounds and intermediates for their preparation LMITO药业株式会社 2023-04-11 — — CN disclosed
WO-2022039460-A1 IMIDAZOLQUINOLINE OR BENZOINDAZOLONE COMPOUND AND INTERMEDIATE FOR PREPARING SAME 주식회사 엘마이토테라퓨틱스 2022-02-24 — — WO disclosed
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