SCHEMBL7078009

SCHEMBL7078009

N#CCc1ccccc1S(=O)(=O)N1CCN(c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PKM P14618 3/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GCK P35557 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL7072501 0.83 PTGDR (0.52) ALDH1A1PKMRECQLNPSR1GCK
SCHEMBL7077437 0.82 MAPT (0.49) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL7074307 0.81 MMP1 (0.44) ALDH1A1ALOX15LMNASMN1; SMN2GCK
SCHEMBL7072133 0.77 MCL1 (0.50) ALDH1A1PKMALOX15TDP1LMNA
SCHEMBL7079825 0.74 MAPT (0.48) ALDH1A1PKMALOX15TDP1LMNA
SCHEMBL7077191 0.74 MMP2 (0.54) ALDH1A1PKMALOX15TDP1LMNA
SCHEMBL7072152 0.70 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL7076518 0.69 KDM4E (0.55) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL7077616 0.68 TP53 (0.45) LMNASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL7072493 0.68 TP53 (0.43) ALDH1A1ALOX15LMNASMN1; SMN2MAPT

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 4 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 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
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed