SCHEMBL12177277

SCHEMBL12177277

COc1ccc(-c2csc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ DVL1 O14640 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ PTPN12 Q05209 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 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
SCHEMBL12177470 0.90 KMT2A (0.42) KMT2AMEN1DVL1MITFPPARG
SCHEMBL12177348 0.90 KMT2A (0.42) KMT2AMEN1MAPK1CA9MITF
SCHEMBL12177133 0.88 PPARG (0.46) KMT2AMEN1CA9DVL1MITF
SCHEMBL12177352 0.86 CISD1 (0.47) KMT2AMEN1MAPK1MAPTCA9
SCHEMBL12177127 0.86 PTPN1 (0.45) KMT2AMEN1POLBPTPN7PTPN12
SCHEMBL12177380 0.84 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL12177367 0.83 MAPK1 (0.49) MAPK1MAPTCA9PPARGALDH1A1
SCHEMBL12177406 0.81 PPARG (0.54) KMT2AMEN1MAPK1MAPTCA9
SCHEMBL12177361 0.80 ENPP2 (0.46) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL12177764 0.80 PPARG (0.44) KMT2AMEN1DVL1PPARGALDH1A1

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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