SCHEMBL29092890

SCHEMBL29092890

C=CCc1cn(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.45
▸ PLA2G2A P14555 3/20 0.45
▸ PLA2G4A P47712 1/20 0.44
▸ CACNB4 O00305 1/20 0.44
▸ CACNA1A O00555 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ CACNG3 O60359 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNB3 P54284 1/20 0.44
▸ CACNA2D1 P54289 1/20 0.44
▸ CACNG7 P62955 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ CACNB1 Q02641 1/20 0.44
▸ CACNG1 Q06432 1/20 0.44
▸ CACNB2 Q08289 1/20 0.44
▸ CACNA1S Q13698 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ CACNA1E Q15878 1/20 0.44

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
SCHEMBL29092494 0.85 ALDH1A1 (0.48) PLA2G2APLA2G4ACACNB4CACNA1ACACNA1G
SCHEMBL29092487 0.84 ICMT (0.50) PLA2G2APLA2G4ACACNB4CACNA1ACACNA1G
SCHEMBL29092264 0.83 CYP19A1 (0.58) HTR6CYP19A1CHRNB2CHRNA7CHRNA4
SCHEMBL29092647 0.81 HTR6 (0.66) PLA2G2ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL7679351 0.79 ALDH1A1 (0.62) PLA2G2APLA2G4A
SCHEMBL28018204 0.79 MEN1 (0.49) HTR6CYP19A1CHRNB2CHRNA7CHRNA4
SCHEMBL1751353 0.77 HTR6 (0.72) PLA2G4ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL20787968 0.76 HDAC1 (0.48) PLA2G2ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL18567886 0.75 KMT2A (0.48) PLA2G2APLA2G4ACACNB4CACNA1ACACNA1G
SCHEMBL1751127 0.74 PLA2G2A (0.55) PLA2G2APLA2G4A

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-116924964-A Preparation method of tetrahydrocarbazole ring compound 四川轻化工大学 2023-10-24 — — CN disclosed
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