SCHEMBL8339547

SCHEMBL8339547

CCCCC1(N=S(=O)=O)CC1.CNC(=S)NC(=O)Cc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8337202 0.94 HPGD (0.39) HPGDL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL8338584 0.89 HPGD (0.40) HPGDL3MBTL1ALDH1A1LMNAGAA
SCHEMBL8340007 0.89 TDP1 (0.49) ALDH1A1LMNAKDM4ETDP1CNR2
SCHEMBL8335999 0.83 TDP1 (0.51) ALDH1A1LMNAKDM4ETDP1CNR2
SCHEMBL8336596 0.78 TDP1 (0.53) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL14873200 0.77 LMNA (0.57) HPGDALDH1A1LMNAGAATDP1
SCHEMBL8340378 0.73 HTT (0.44) ALDH1A1LMNAKDM4EGAATDP1
SCHEMBL8340529 0.71 TDP1 (0.44) ALDH1A1LMNAKDM4EGAATDP1
SCHEMBL171965 0.65 LMNA (0.55) HPGDALDH1A1LMNAKDM4EGAA
SCHEMBL8335900 0.65 TDP1 (0.46) ALDH1A1LMNAKDM4ETDP1MEN1

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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