SCHEMBL8519895

SCHEMBL8519895

Cc1cc(CNS(=O)(=O)Cc2cccnc2)n(C)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 4/20 0.40
POLB P06746 2/20 0.39

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
Hydrochloric Acid SCHEMBL8519131 0.99 ABCB11 (0.50) ABCB11PTGS2LMNASMN1; SMN2TSHR
SCHEMBL8519780 0.91 LMNA (0.41) ABCB11PTGS2LMNASMN1; SMN2TSHR
SCHEMBL8518478 0.91 MEN1 (0.43) ABCB11PTGS2TSHRALDH1A1HTT
Hydrochloric Acid SCHEMBL8518624 0.90 VNN1 (0.43) ABCB11PTGS2TSHRCYP1A2HTT
SCHEMBL8519457 0.89 GAA (0.48) SMN1; SMN2TSHRALDH1A1HTTNAMPT
SCHEMBL8518493 0.88 ABCB11 (0.60) ABCB11PTGS2LMNASMN1; SMN2TSHR
SCHEMBL8519641 0.87 PTGS2 (0.53) ABCB11PTGS2LMNASMN1; SMN2TSHR
SCHEMBL8518356 0.84 ABCB11 (0.54) ABCB11PTGS2LMNASMN1; SMN2TSHR
SCHEMBL8518342 0.82 TSHR (0.43) LMNASMN1; SMN2TSHRALDH1A1HTT
SCHEMBL8518402 0.81 ABCB11 (0.47) ABCB11PTGS2LMNASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 US disclosed