SCHEMBL28635461

SCHEMBL28635461

COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(S(C)(=O)=O)ccc32)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.82
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
OPRM1 P35372 1/20 0.55
DNM1 Q05193 1/20 0.44
ALDH1A1 P00352 3/20 0.39
PKM P14618 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE4B Q07343 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ELANE P08246 1/20 0.37
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL30897306 1.00 TSPO (0.82) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410057 0.91 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410188 0.91 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL409626 0.91 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18806386 0.91 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL10287450 0.91 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897308 0.89 TSPO (0.64) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28641677 0.89 TSPO (0.64) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897310 0.83 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28629825 0.83 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402444-A Carbazole compound and application thereof in preparation of medicines for treating metabolic related diseases such as fatty liver and type 2 diabetes 上海欧坤生物医药科技有限公司 2021-09-17 CN claimed
CN-113402444-B Carbazole compound and application thereof in preparation of medicines for treating fatty liver and type 2 diabetes and other metabolic related diseases 上海欧坤生物医药科技有限公司 2024-05-03 CN disclosed
CN-113402444-A Carbazole compound and application thereof in preparation of medicines for treating metabolic related diseases such as fatty liver and type 2 diabetes 上海欧坤生物医药科技有限公司 2021-09-17 CN disclosed