SCHEMBL8518458

SCHEMBL8518458

Cc1cc(CNS(=O)(=O)C=Cc2ccccc2)n(C)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8519554 0.89 LMNA (0.46) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519486 0.83 ABCB11 (0.61) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8518493 0.82 ABCB11 (0.60) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8518456 0.75 PTGS2 (0.62) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519641 0.74 PTGS2 (0.53) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519811 0.74 ABCB11 (0.48) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519110 0.74 ABCB11 (0.64) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519533 0.74 ABCB11 (0.57) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8518402 0.73 ABCB11 (0.47) PTGS2ABCB11LMNAALDH1A1CYP1A2
SCHEMBL8519895 0.73 ABCB11 (0.51) PTGS2ABCB11LMNAALDH1A1CYP1A2

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