SCHEMBL7652825

SCHEMBL7652825

O=S(=O)(Cl)c1ccc(-c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
MMP3 P08254 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CHKA P35790 1/20 0.44
HTR6 P50406 1/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL7652722 0.98 LMNA (0.53) LMNASMN1; SMN2MAPK1HTTMMP3
SCHEMBL3176219 0.94 LMNA (0.59) LMNASMN1; SMN2MAPK1HTTMAPT
SCHEMBL9582446 0.92 LMNA (0.58) LMNASMN1; SMN2MAPK1HTTMAPT
SCHEMBL9581858 0.92 LMNA (0.58) LMNASMN1; SMN2MAPK1HTTMAPT
SCHEMBL6561315 0.86 PKM (0.58) HTTMAPTALDH1A1PKMTSHR
SCHEMBL17902921 0.84 ALDH1A1 (0.63) LMNAHTTALDH1A1TSHRHTR6
SCHEMBL17899709 0.84 KMT2A (0.50) SMN1; SMN2HTTMAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL7652831 0.81 LMNA (0.54) LMNASMN1; SMN2MAPK1HTTMMP3
SCHEMBL8517012 0.81 LMNA (0.64) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL17902923 0.80 KDM4E (0.53) SMN1; SMN2MAPTALDH1A1CHKAHTR6

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-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
US-6335333-B1 MATRIX METALLOPROTEINASE INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-01 US disclosed
US-6201130-B1 FOR THE THERAPY AND PROPHYLAXIS OF DISORDERS INVOLVING MATRIX-DEGRADING METALLOPROTEINASES; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DUETSCHLAND GMBH (DE) 2001-03-13 US disclosed