SCHEMBL7439230

SCHEMBL7439230

N#Cc1ccc(C(=O)CC2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
DHODH Q02127 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL8386890 0.78 MAPK1 (0.41) GRM5GRM1POLBFNTAFNTB
SCHEMBL7436707 0.72 GSK3B (0.43) GSK3BGRM5GRM1LMNAALDH1A1
SCHEMBL16088741 0.72 HSD17B10 (0.57) GSK3BSIGMAR1LMNAALDH1A1L3MBTL1
Bromide SCHEMBL3869963 0.71 MAPT (0.44) GSK3BGRM5GRM1LMNAALDH1A1
SCHEMBL12700339 0.70 LMNA (0.58) GSK3BSIGMAR1LMNAALDH1A1POLB
SCHEMBL31036675 0.70 GSK3B (0.41) GSK3BSIGMAR1LMNAPOLBCA1
SCHEMBL7444588 0.69 GSK3B (0.43) GSK3BSIGMAR1LMNAALDH1A1L3MBTL1
SCHEMBL1515793 0.69 MAPT (0.61) GSK3BSIGMAR1LMNAL3MBTL1POLB
SCHEMBL28043310 0.69 KMT2A (0.65) GSK3BLMNAALDH1A1L3MBTL1POLB
SCHEMBL20378480 0.68 HTT (0.40) LMNAALDH1A1L3MBTL1RAB9ADRD2

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
EP-0849263-A2 Pharmaceutical substituted propanoic acid derivatives ELI LILLY AND COMPANY LIMITED (GB) 1998-06-24 EP disclosed