SCHEMBL8740724

SCHEMBL8740724

COC(CCC#N)C(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
NLRP1 Q9C000 1/20 0.44
HTT P42858 2/20 0.43
P2RX7 Q99572 9/20 0.43
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8740725 0.79 HPGD (0.46) EPHX2LMNAMAPK1NLRP1HTT
SCHEMBL2748481 0.79 LMNA (0.52) EPHX2LMNAMAPK1NLRP1HTT
SCHEMBL18887747 0.75 LMNA (0.57) EPHX2LMNAMAPK1NLRP1HTT
SCHEMBL29034668 0.72 LMNA (0.57) EPHX2LMNAMAPK1NLRP1HTT
SCHEMBL2265823 0.72 ALDH1A1 (0.58) LMNAMAPK1NLRP1P2RX7ALDH1A1
SCHEMBL1143411 0.72 LMNA (0.53) LMNAMAPK1NLRP1HTTP2RX7
SCHEMBL6529545 0.69 LMNA (0.60) EPHX2LMNAMAPK1NLRP1HTT
SCHEMBL23135793 0.69 TDP1 (0.60) LMNAMAPK1NLRP1HTTP2RX7
SCHEMBL14920505 0.68 TSHR (0.56) EPHX2LMNAMAPK1NLRP1P2RX7
SCHEMBL14920792 0.68 LMNA (0.50) LMNAMAPK1NLRP1P2RX7ALDH1A1

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
EP-0758891-A4 HALOMETHYL AMIDES AS IL-1-g(b) PROTEASE INHIBITORS SANOFI WINTHROP INC (US) 1997-12-03 EP claimed
EP-0758891-A1 HALOMETHYL AMIDES AS IL-1$g(b) PROTEASE INHIBITORS SANOFI WINTHROP, INC. (US) 1997-02-26 EP claimed
WO-1995029672-A1 HALOMETHYL AMIDES AS IL-1β PROTEASE INHIBITORS SANOFI WINTHROP, INC. (US) 1995-11-09 WO claimed