SCHEMBL7072133

SCHEMBL7072133

O=C(O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
TEAD4 Q15561 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACLY P53396 1/20 0.43
GCK P35557 1/20 0.43
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.41
CHRM4 P08173 1/20 0.41
PTGDR Q13258 1/20 0.41

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
SCHEMBL7079825 0.88 MAPT (0.48) ALDH1A1PKMKMT2AMAPTALOX15
SCHEMBL7077191 0.88 MMP2 (0.54) ALDH1A1PKMALOX15LMNATSHR
SCHEMBL7072501 0.84 PTGDR (0.52) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL7072152 0.81 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTTEAD4
SCHEMBL7076380 0.81 MCL1 (0.56) MCL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7074307 0.79 MMP1 (0.44) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL7078009 0.77 ALDH1A1 (0.40) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL7074361 0.76 MCL1 (0.56) MCL1ALDH1A1PKMMEN1KMT2A
SCHEMBL30926941 0.73 KMT2A (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5069997 0.73 TSHR (0.65) MCL1ALDH1A1MEN1KMT2ALMNA

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-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed