SCHEMBL1554836

SCHEMBL1554836

C=C(C(=O)c1ccco1)c1cncs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
PTPN1 P18031 1/20 0.45
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
CLK1 P49759 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL1556668 0.72 KMT2A (0.39) LMNAKDM4EGAASMN1; SMN2HTT
SCHEMBL1555200 0.71 KMT2A (0.35) POLBRAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL7977917 0.70 KMT2A (0.41) PKMKMT2AMAPTALDH1A1TDP1
SCHEMBL15233 0.69 CES2 (1.00) CES2CES1PTPN1POLBRAB9A
SCHEMBL2155972 0.69 CES2 (1.00) CES2CES1PTPN1POLBRAB9A
SCHEMBL30368283 0.69 KMT2A (0.40) KMT2A
SCHEMBL1555816 0.69 CES2 (0.51) CES2CES1PTPN1POLBRAB9A
SCHEMBL11606024 0.68 CES2 (0.71) CES2CES1PTPN1POLBRAB9A
SCHEMBL11448058 0.67 CES2 (0.95) CES2CES1PTPN1POLBRAB9A
SCHEMBL8199604 0.67 CES2 (0.95) CES2CES1PTPN1POLBRAB9A

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-2488533-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-08-22 EP claimed
WO-2011045646-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-04-21 WO claimed