SCHEMBL8334697

SCHEMBL8334697

O=C(O)c1ccc(C2CC=C(/C=C3\SC(=S)N(C4CCCCC4)C3=O)O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
POLB P06746 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 6/20 0.49
HSD17B3 P37058 2/20 0.47
MAPT P10636 8/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
DUSP22 Q9NRW4 3/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
XBP1 P17861 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL8290394 0.89 MEN1 (0.52) KMT2APOLBMEN1ALDH1A1HSD17B3
SCHEMBL3899841 0.76 STAT3 (0.63) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL3899838 0.76 STAT3 (0.63) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL13407209 0.74 MYC (0.49) KMT2APOLBMEN1L3MBTL1
SCHEMBL13766507 0.73 CISD1 (0.44) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL12177437 0.73 ALDH1A1 (0.58) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL13082002 0.72 KMT2A (0.51) KMT2APOLBMEN1MAPTPTPN12
SCHEMBL13081727 0.72 PTPN12 (0.48) KMT2APOLBMEN1MAPTL3MBTL1
SCHEMBL13855614 0.70 CISD1 (0.44) POLBALDH1A1HSD17B3MAPTLMNA
SCHEMBL9983039 0.69 POLB (1.00) KMT2APOLBMEN1ALDH1A1HSD17B3

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-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed