SCHEMBL7080602

SCHEMBL7080602

COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
TP53 P04637 2/20 0.65
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ACLY P53396 1/20 0.53
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50
HSD11B1 P28845 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL7077701 0.91 MAPT (0.54) MAPTTP53HSD17B10KDM4EALDH1A1
SCHEMBL7076380 0.85 MCL1 (0.56) MAPTTP53ALDH1A1SMN1; SMN2ACLY
SCHEMBL7073728 0.84 MMP2 (0.60) MAPTTP53SMN1; SMN2ACLYLMNA
SCHEMBL7079825 0.83 MAPT (0.48) MAPTTP53CYP2C9CYP2C19HSD17B10
SCHEMBL8337431 0.81 CA1 (0.58) CYP3A4CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL7072350 0.81 CYP1A2 (0.55) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL14697013 0.80 HSD17B10 (0.56) HSD17B10ALDH1A1LMNAPOLB
SCHEMBL7076424 0.80 MMP2 (0.61) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL7072160 0.80 LMNA (0.57) MAPTTP53HSD17B10LMNAKMT2A
SCHEMBL14086405 0.80 KMT2A (0.55) HSD17B10KDM4EALDH1A1SMN1; SMN2LMNA

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