SCHEMBL8338089

SCHEMBL8338089

CNC(=S)NC(=O)C(CCC(CCC(C)C)N=S(=O)=O)c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ GPR88 Q9GZN0 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ HTT P42858 2/20 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
SCHEMBL8338207 0.92 TDP1 (0.37) TDP1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL8341296 0.91 TDP1 (0.40) TDP1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL8338140 0.90 MMP9 (0.38) TDP1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL8340160 0.90 MAPT (0.37) HPGDALDH1A1MAPTGAALMNA
SCHEMBL8334670 0.89 MMP9 (0.41) TDP1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL8337813 0.89 TDP1 (0.39) TDP1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL8392500 0.88 MMP9 (0.43) TDP1KDM4EHTT
SCHEMBL8336310 0.88 MMP9 (0.43) TDP1KDM4EHTT
SCHEMBL8340743 0.82 MMP9 (0.40) HPGDALDH1A1MAPTGAAGPR88
SCHEMBL8338276 0.81 TAS1R3 (0.37) CYP1A2CYP3A4CYP2C9PKMCYP2C19

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
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
Send feedback