SCHEMBL8337980

SCHEMBL8337980

CON(O)c1cccc(C2CC=C(/C=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.49
MAPT P10636 9/20 0.49
MEN1 O00255 9/20 0.49
ALDH1A1 P00352 6/20 0.49
POLB P06746 6/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 1/20 0.49
XBP1 P17861 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
ATM Q13315 1/20 0.46
NLRP1 Q9C000 1/20 0.46
ALPL P05186 2/20 0.42
ALPI P09923 2/20 0.42
ALPG P10696 2/20 0.42
MCL1 Q07820 1/20 0.42

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 0.72 MEN1 (0.52) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL13479684 0.70 MAPT (0.78) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL13855610 0.67 MAPT (1.00) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3895454 0.67 MAPT (1.00) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3895459 0.67 MAPT (1.00) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL13766507 0.67 CISD1 (0.44) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL8334697 0.67 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL14133154 0.65 KMT2A (0.68) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3893314 0.64 MAPT (0.69) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3893308 0.64 MAPT (0.69) KMT2AMAPTMEN1ALDH1A1POLB

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