SCHEMBL9624511

SCHEMBL9624511

CS(=O)(=O)Nc1ccc(CCCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
AR P10275 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.49
HDAC1 Q13547 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CASP1 P29466 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
PTPRC P08575 1/20 0.45

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
SCHEMBL9625062 0.92 HPGD (0.57) HPGDSMN1; SMN2NPC1ARRAB9A
SCHEMBL5726108 0.84 HPGD (0.57) HPGDSMN1; SMN2LMNAKDM4EGRIN1
SCHEMBL14368556 0.82 TDP1 (0.61) SMN1; SMN2NPC1RAB9ALMNAHDAC1
SCHEMBL8692925 0.82 HTT (0.54) HPGDSMN1; SMN2NPC1ARRAB9A
SCHEMBL7907147 0.80 KDM4E (0.58) HPGDSMN1; SMN2LMNAHDAC1KDM4E
SCHEMBL14793821 0.80 TRPV1 (0.57) SMN1; SMN2LMNAHDAC1HDAC8CASP1
SCHEMBL19007852 0.78 ALDH1A1 (0.59) SMN1; SMN2LMNAHDAC1HDAC8CASP1
SCHEMBL31329294 0.78 ALDH1A1 (0.61) NPC1RAB9ATDP1ALOX5ALDH1A1
SCHEMBL9625116 0.77 MAOB (0.56) SMN1; SMN2NPC1RAB9ALMNAHDAC1
SCHEMBL19007857 0.76 MAPT (0.62) HDAC1TDP1ALOX5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP disclosed