SCHEMBL8339931

SCHEMBL8339931

CCCC1CCC1N=S(=O)=O.CNC(=S)NC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ RAB9A P51151 1/20 0.43
▸ CRHBP P24387 3/20 0.42
▸ CRHR2 Q13324 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8335900 0.94 TDP1 (0.46) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8335612 0.92 LMNA (0.40) TDP1RAB9AKMT2AALDH1A1LMNA
SCHEMBL169824 0.78 TDP1 (0.76) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8340223 0.78 MMP1 (0.34) TDP1CRHBPCRHR2KMT2AALDH1A1
SCHEMBL8335999 0.76 TDP1 (0.51) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8340529 0.76 TDP1 (0.44) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8336596 0.75 TDP1 (0.53) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8340007 0.74 TDP1 (0.49) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8340133 0.72 TDP1 (0.37) TDP1RAB9AKMT2AALDH1A1LMNA
SCHEMBL14817500 0.68 RAB9A (0.61) TDP1RAB9ACRHBPCRHR2KMT2A

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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