SCHEMBL6772885

SCHEMBL6772885

CCCSc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6763628 0.86 GAA (0.44) SMN1; SMN2POLBGAAPKMALDH1A1
SCHEMBL12322297 0.86 GAA (0.53) SMN1; SMN2POLBGAAPKMALDH1A1
SCHEMBL6767865 0.76 MAPT (0.53) MEN1KMT2ACYP1A2HPGDMAPK1
SCHEMBL31543727 0.70 AHR (0.44) SMN1; SMN2MEN1KMT2ALMNATP53
SCHEMBL7679788 0.70 MEN1 (0.44) SMN1; SMN2MEN1KMT2ALMNATP53
SCHEMBL4866368 0.70 MAPT (0.43) SMN1; SMN2MEN1KMT2AMAPK1POLB
SCHEMBL13397872 0.70 CA12 (0.61) KMT2ALMNAHPGDMAPK1NPSR1
SCHEMBL5393113 0.69 GAA (0.59) SMN1; SMN2MEN1KMT2APOLBGAA
SCHEMBL1507659 0.69 MEN1 (0.40) SMN1; SMN2MEN1KMT2ALMNATP53
SCHEMBL6767845 0.69 MAPT (0.60) MEN1KMT2ALMNAHPGDMAPK1

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed