SCHEMBL30833303

SCHEMBL30833303

c1ccc2c(c1)[nH]c1c(OCc3ccc(CN4CCCC4)cc3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
MAPT P10636 1/20 0.43
ABCC1 P33527 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL29180955 0.85 BCHE (0.50) HRH3MEN1KMT2A
SCHEMBL27777168 0.81 SRD5A2 (0.56) MAPTPIK3CGADORA3
SCHEMBL5746976 0.80 TDP1 (0.54) HRH3CYP2D6CYP2C19KDM4E
SCHEMBL30833298 0.79 HTR1A (0.50) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5748842 0.79 TDP1 (0.58) HRH3CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL5746589 0.79 TSHR (0.55) HRH3CYP2D6CYP2C19KDM4ESMN1; SMN2
SCHEMBL5745224 0.78 HRH3 (0.57) HRH3CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL5747298 0.77 TDP1 (0.50) HRH3CYP2D6CYP2C19KDM4E
SCHEMBL5746509 0.76 TDP1 (0.54) HRH3CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL29180947 0.76 HRH3 (0.45) HRH3ALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800898-A Carbazole compound and application thereof 中国药科大学 2024-04-02 CN disclosed