SCHEMBL8993345

SCHEMBL8993345

Cc1ccc(S(=O)(=O)OCc2cccc(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
PGR P06401 1/20 0.44
GRM5 P41594 2/20 0.43
CYP19A1 P11511 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL4947525 0.89 CYP19A1 (0.53) LMNAMAPTCYP3A4IDO1CYP19A1
SCHEMBL5870558 0.86 IDO1 (0.50) LMNAALDH1A1MAPTIDO1CYP19A1
SCHEMBL8206287 0.86 LMNA (0.46) LMNASMN1; SMN2ALDH1A1MAPTPGR
SCHEMBL11207479 0.83 LMNA (0.44) LMNASMN1; SMN2ALDH1A1MAPTPGR
SCHEMBL776918 0.82 ALDH1A1 (0.50) ALDH1A1IDO1AGXTCYP19A1BCHE
SCHEMBL5697490 0.81 GAA (0.55) LMNASMN1; SMN2ALDH1A1MAPTBCHE
SCHEMBL8993165 0.81 PKM (0.52) LMNAALDH1A1IDO1AGXTBCHE
SCHEMBL2890 0.81 CA9 (0.53) LMNASMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL7403082 0.81 ALDH1A1 (0.57) LMNAALDH1A1MAPTCYP3A4IDO1
SCHEMBL9430144 0.80 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1BCHEACHE

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed