SCHEMBL7120944

SCHEMBL7120944

ClC(SC(Cl)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
HRH1 P35367 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
GRM7 Q14831 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL766520 0.82 TSHR (0.55) TSHRDPP4F2CYP3A4HTR2A
SCHEMBL1575568 0.80 TSHR (0.52) TSHRDPP4F2HTR2ATAAR1
SCHEMBL6047976 0.78 TSHR (0.50) TSHRDPP4F2CYP3A4HTR2A
SCHEMBL11062833 0.76 TSHR (0.48) TSHRDPP4F2CYP3A4TDP1
Hydrochloric Acid SCHEMBL28478207 0.75 TSHR (0.93) TSHRDPP4F2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL27973361 0.75 TSHR (0.93) TSHRDPP4F2CYP3A4ALOX15
SCHEMBL7701251 0.73 TSHR (0.58) TSHRDPP4F2CYP3A4ALOX15
SCHEMBL2155150 0.72 TSHR (0.44) TSHRDPP4F2HTR2ATAAR1
SCHEMBL10679365 0.72 TSHR (0.44) TSHRDPP4F2CYP3A4ALOX15
SCHEMBL3996907 0.72 TSHR (0.50) TSHRDPP4F2CYP3A4ALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 US claimed
US-6667346-B2 Administration of a radioprotective alpha, beta unsaturated aryl sulfone compound to a patient prior to anticancer radiotherapy reduces cytotoxic side effects of radiation on normal cells TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-23 US disclosed
EP-1180024-A4 Z-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2002-06-19 EP disclosed
EP-1180024-A1 Z-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-02-20 EP disclosed
WO-2000057872-A1 Z-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-05 WO disclosed
US-5466701-A Degenerative diseases STERLING WINTHROP INC. (US) 1995-11-14 US disclosed
US-5378720-A Treatment of rheumatoid arthritis, emphysema, pancreatitis STERLING WINTHROP INC. (US) 1995-01-03 US disclosed
EP-0626378-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-11-30 EP disclosed