SCHEMBL12177367

SCHEMBL12177367

COc1ccc(CN2C(=O)S/C(=C\c3cc(-c4ccc(OC)cc4)cs3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA9 Q16790 1/20 0.48
▸ PPARG P37231 5/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ HSD17B3 P37058 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ACP1 P24666 1/20 0.47
▸ ENPP2 Q13822 2/20 0.47
▸ PIM1 P11309 1/20 0.46

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
SCHEMBL12177406 0.96 PPARG (0.54) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL12177366 0.95 ENPP2 (0.54) ALDH1A1PPARGPTPN1ENPP2
SCHEMBL12177568 0.86 MAPK1 (0.66) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL12177303 0.85 ENPP2 (0.55) PTPN1ACP1ENPP2
SCHEMBL12177484 0.84 PPARG (0.55) ALDH1A1PPARGPTPN1ACP1ENPP2
SCHEMBL12177277 0.83 KMT2A (0.43) MAPK1ALDH1A1MAPTPKMCA9
SCHEMBL12177450 0.83 MAPK1 (0.41) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL12177353 0.82 PIM1 (0.59) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL12177155 0.82 PPARG (0.63) ALDH1A1PPARGPTPN1ACP1ENPP2
SCHEMBL12177400 0.82 PPARG (0.66) MAPK1KDM4EALDH1A1LMNAMAPT

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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