SCHEMBL9809091

SCHEMBL9809091

Cc1c(SSc2c(C)n(C)n(-c3cccc(Cl)n3)c2=O)c(=O)n(-c2cccc(Cl)n2)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ALOX5 P09917 2/20 0.36
XPO1 O14980 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM4 P08173 1/20 0.33
BCHE P06276 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL9809099 0.89 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9809111 0.85 CYP19A1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17035402 0.72 NAPRT (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9809065 0.70 ALOX15 (0.62) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL9809089 0.70 GSK3A (0.41) ALDH1A1MAPTKMT2AMEN1BCHE
SCHEMBL17035278 0.66 BCHE (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9809075 0.65 BCHE (0.47) ALDH1A1MAPTKMT2ATSHRCYP1A2
SCHEMBL24190264 0.64 FPR2 (0.43)
SCHEMBL9809062 0.63 CYP19A1 (0.38) ALDH1A1CYP19A1MAPTKMT2AMEN1
SCHEMBL1455672 0.62 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed