SCHEMBL9616631

SCHEMBL9616631

Nc1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.67
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTR6 P50406 3/20 0.56
ALDH1A1 P00352 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.49
FABP4 P15090 6/20 0.47
FABP5 Q01469 3/20 0.47
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
FPR2 P25090 1/20 0.45
CYP2C19 P33261 1/20 0.45
MTOR P42345 1/20 0.45
CSNK1A1 P48729 1/20 0.45
MYLK Q15746 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL9616781 0.93 WDR5 (0.57) WDR5MEN1KMT2AHTR6ALDH1A1
SCHEMBL30737482 0.82 MEN1 (0.65) MEN1KMT2AHTR6ALDH1A1POLB
SCHEMBL28271817 0.82 MEN1 (0.65) MEN1KMT2AHTR6ALDH1A1POLB
SCHEMBL9616547 0.82 WDR5 (0.80) WDR5MEN1KMT2AALDH1A1RXFP1
SCHEMBL28513733 0.80 MEN1 (0.66) MEN1KMT2AHTR6ALDH1A1POLB
SCHEMBL28506242 0.80 MEN1 (0.79) MEN1KMT2AHTR6ALDH1A1HSD17B10
SCHEMBL9616784 0.78 HTR6 (0.54) WDR5MEN1KMT2AHTR6ALDH1A1
SCHEMBL28513321 0.78 MEN1 (0.59) WDR5MEN1KMT2AHTR6ALDH1A1
SCHEMBL28270335 0.76 HTR6 (0.66) MEN1KMT2AHTR6POLBKDM4E
SCHEMBL28530757 0.76 HTR6 (0.61) MEN1KMT2AHTR6ALDH1A1POLB

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
EP-0462179-A4 NOVEL SULFONAMIDES AS RADIOSENSITIZERS 1992-03-18 EP claimed
EP-0462179-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-27 EP claimed
WO-1990009787-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-09-07 WO claimed