SCHEMBL8340696

SCHEMBL8340696

CCCCCC(CCC(C(=O)NC(=S)NC1CCCCC1)c1ccc(OC)cc1)N=S(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ BMP1 P13497 1/20 0.42
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ YAP1 P46937 2/20 0.39
▸ TEAD4 Q15561 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL8341075 0.96 NPC1 (0.39) RAB9ANPC1BMP1HTTALDH1A1
SCHEMBL8339718 0.88 MMP9 (0.40) RAB9ANPC1ALDH1A1EPHX2MAPT
SCHEMBL8340743 0.87 MMP9 (0.40) HTTALDH1A1MAPTLMNAKDM4E
SCHEMBL8334670 0.87 MMP9 (0.41) HTTCYP3A4CYP2C19KDM4ETDP1
SCHEMBL8332853 0.86 MMP9 (0.41) HTTKDM4EKMT2ACNR1CNR2
SCHEMBL8392500 0.86 MMP9 (0.43) HTTKDM4ETDP1
SCHEMBL8336310 0.86 MMP9 (0.43) HTTKDM4ETDP1
SCHEMBL8338841 0.84 MMP9 (0.40) HTTALDH1A1MAPTLMNAKDM4E
SCHEMBL8338140 0.84 MMP9 (0.38) HTTALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL8334058 0.81 MMP9 (0.41) ALDH1A1

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
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