SCHEMBL20207722

SCHEMBL20207722

CC(C)(C(=O)OCc1ccccc1)c1ccc(CS)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PTPN1 P18031 4/20 0.39
PTPRC P08575 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOB P27338 2/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 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
SCHEMBL21666580 0.82 ALDH1A1 (0.43) ALDH1A1PTPN1PTPRCL3MBTL1RAB9A
SCHEMBL22752410 0.80 ALDH1A1 (0.46) ALDH1A1PTPN1PTPRCL3MBTL1RAB9A
SCHEMBL21666421 0.80 ALDH1A1 (0.43) ALDH1A1PTPN1PTPRCL3MBTL1RAB9A
SCHEMBL15910890 0.77 LMNA (0.54) ALDH1A1PTPN1PTPRCL3MBTL1CHRM2
SCHEMBL24904311 0.76 LMNA (0.56) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13313606 0.76 MAOB (0.59) ALDH1A1L3MBTL1RAB9AMAOBKMT2A
SCHEMBL228601 0.74 NR4A2 (0.51) ALDH1A1PTPN1PTPRCMAOBKMT2A
SCHEMBL23876180 0.74 KMT2A (0.50) ALDH1A1PTPN1PTPRCL3MBTL1KMT2A
SCHEMBL23876186 0.74 NPC1 (0.49) ALDH1A1PTPN1PTPRCL3MBTL1RAB9A
SCHEMBL3045824 0.74 ALDH1A1 (0.49) ALDH1A1PTPN1PTPRCL3MBTL1TSHR

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
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed