SCHEMBL29092487

SCHEMBL29092487

C=CCc1cn(Cc2ccccc2)c2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 3/20 0.50
▸ HTR6 P50406 2/20 0.48
▸ PLA2G2A P14555 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CACNB4 O00305 2/20 0.44
▸ CACNA1A O00555 2/20 0.44
▸ CACNA1G O43497 2/20 0.44
▸ CACNG3 O60359 2/20 0.44
▸ CACNA1F O60840 2/20 0.44
▸ CACNA1H O95180 2/20 0.44
▸ CACNB3 P54284 2/20 0.44
▸ CACNA2D1 P54289 2/20 0.44
▸ CACNG7 P62955 2/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ CACNA1D Q01668 2/20 0.44
▸ CACNB1 Q02641 2/20 0.44
▸ CACNG1 Q06432 2/20 0.44
▸ CACNB2 Q08289 2/20 0.44
▸ CACNA1S Q13698 2/20 0.44
▸ CACNA1C Q13936 2/20 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) ICMTHTR6PLA2G2ACACNB4CACNA1A
SCHEMBL29092890 0.84 KRAS (0.45) HTR6PLA2G2ACACNB4CACNA1ACACNA1G
SCHEMBL9584802 0.83 ICMT (0.54) ICMTHTR6PLA2G2APTGS2CACNB4
SCHEMBL29092264 0.83 CYP19A1 (0.58) HTR6ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL29092647 0.81 HTR6 (0.66) ICMTHTR6PLA2G2ACACNB4CACNA1A
SCHEMBL25322499 0.80 PTGS2 (0.54) ICMTHTR6PTGS2ALDH1A1SMN1; SMN2
SCHEMBL29092883 0.76 HTR6 (0.53) ICMTHTR6PTGS2CACNB4CACNA1A
SCHEMBL27794870 0.73 LMNA (0.56) ICMTPLA2G2APLA2G4AALDH1A1SMN1; SMN2
SCHEMBL8805590 0.70 YES1 (0.55) ICMTPLA2G2AALDH1A1SMN1; SMN2LMNA
SCHEMBL25322491 0.70 HTR6 (0.50) ICMTHTR6PTGS2ALDH1A1SMN1; 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-116924964-A Preparation method of tetrahydrocarbazole ring compound 四川轻化工大学 2023-10-24 — — CN claimed
CN-116924964-A Preparation method of tetrahydrocarbazole ring compound 四川轻化工大学 2023-10-24 — — CN disclosed
Send feedback