SCHEMBL8339200

SCHEMBL8339200

CNC(=O)NC(=O)CN1CCOC(c2ccc(OC)cc2)C1N=S(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EDNRB P24530 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 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
SCHEMBL8335504 0.92 TDP1 (0.35) DRD3DRD2KDM4EALDH1A1HDAC1
SCHEMBL8338913 0.77 SMN1; SMN2 (0.36) ALDH1A1HDAC1HDAC8CYP1A2CYP3A4
SCHEMBL8340133 0.69 TDP1 (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8336185 0.68 TDP1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8339013 0.67 CNR2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL8335797 0.64 OPRK1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8339176 0.64 OPRM1 (0.39) KDM4ECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL24217664 0.59 DRD2 (0.47) DRD3DRD2SMN1; SMN2
SCHEMBL8556874 0.59 DRD2 (0.43) DRD3DRD2SMN1; SMN2POLB
SCHEMBL8574688 0.58 PLK1 (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2EDNRB

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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