SCHEMBL8336211

SCHEMBL8336211

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL8340378 0.94 HTT (0.44) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8340007 0.91 TDP1 (0.49) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8335999 0.85 TDP1 (0.51) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8336596 0.80 TDP1 (0.53) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8340529 0.73 TDP1 (0.44) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8337202 0.73 HPGD (0.39) HTTTDP1ALDH1A1KMT2AMEN1
SCHEMBL10928682 0.68 HTT (0.63) HTTTDP1EPHX2ALDH1A1KMT2A
SCHEMBL8338584 0.68 HPGD (0.40) HTTTDP1ALDH1A1KMT2AMEN1
SCHEMBL3369060 0.67 HTT (0.76) HTTTDP1EPHX2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10932165 0.67 HTT (0.61) HTTTDP1EPHX2ALDH1A1KMT2A

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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