SCHEMBL9625622

SCHEMBL9625622

CS(=O)(=O)Nc1ccc(CCC(=O)N2CCCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
GRIN1 Q05586 1/20 0.64
GRIN2B Q13224 1/20 0.64
POLB P06746 1/20 0.62
TSHR P16473 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.57
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.55
NAAA Q02083 1/20 0.55

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
SCHEMBL9624151 0.86 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL9625948 0.86 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL2018003 0.78 GRIN1 (1.00) KMT2AMEN1GRIN1GRIN2BPOLB
SCHEMBL2017472 0.78 GRIN1 (0.74) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL8701414 0.78 NPC1 (0.68) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL9625696 0.77 LTA4H (0.58) ALDH1A1GAAHPGDLMNATDP1
SCHEMBL9625327 0.77 LTA4H (0.58) ALDH1A1GAAHPGDLMNATDP1
Hydrochloric Acid SCHEMBL9440277 0.77 HTR2A (0.52) KMT2AMEN1GRIN1GRIN2BPOLB
SCHEMBL8392932 0.77 POLB (0.67) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL9625624 0.76 NPC1 (0.50) ALDH1A1KMT2AMEN1POLBTSHR

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