SCHEMBL4313641

SCHEMBL4313641

N#Cc1ccc(CCNC(=O)c2sc(Cl)cc2Cc2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.49
PTGER4 P35408 2/20 0.49
EGLN2 Q96KS0 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.45
CNR1 P21554 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
MAPT P10636 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
SCHEMBL4304151 0.86 PTGER4 (0.66) SNCAPTGER4RAB9ANPC1SMN1; SMN2
SCHEMBL4302915 0.83 PTGER4 (0.55) SNCAPTGER4RAB9ANPC1SMN1; SMN2
SCHEMBL4090073 0.80 PTGER4 (0.76) PTGER4MAPT
SCHEMBL4088746 0.73 PTGER4 (0.61) PTGER4LMNAMAPT
SCHEMBL1154126 0.67 TMPRSS4 (0.59) SNCAEGLN2CNR1HTTLMNA
SCHEMBL14502263 0.67 HDAC2 (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2351632 0.66 PTGER4 (1.00) PTGER4
SCHEMBL3644787 0.65 TRPV1 (0.61) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL6316429 0.65 ALDH1A1 (0.66) RAB9ANPC1CNR1SMN1; SMN2HTT
SCHEMBL2001284 0.64 CNR1 (0.58) RAB9ACNR1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054401-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS Merck Frosst Canada Ltd. (CA) 2009-05-06 EP disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed