SCHEMBL5643117

SCHEMBL5643117

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(I)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
MAPK1 P28482 1/20 0.71
NLRP1 Q9C000 1/20 0.71
EPHX2 P34913 8/20 0.64
TSHR P16473 1/20 0.56
NR1H4 Q96RI1 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ROCK2 O75116 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ROCK1 Q13464 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL29336072 0.87 LMNA (0.72) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL30802565 0.87 LMNA (0.72) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL5642964 0.86 LMNA (0.53) LMNAMAPK1NLRP1EPHX2NR1H4
SCHEMBL5642926 0.85 LMNA (0.75) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL29335953 0.85 LMNA (0.71) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL5646507 0.85 LMNA (0.70) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL20269915 0.83 LMNA (0.67) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL29336076 0.83 LMNA (0.76) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL29336034 0.83 LMNA (0.67) LMNAMAPK1NLRP1EPHX2TSHR
SCHEMBL21490251 0.81 LMNA (0.68) LMNAMAPK1NLRP1EPHX2NR1H4

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed