SCHEMBL8337281

SCHEMBL8337281

CC(=C=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.78
SYK P43405 1/20 0.75
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 4/20 0.62
RECQL P46063 3/20 0.62
MCL1 Q07820 3/20 0.62
LMNA P02545 2/20 0.62
ALOX12 P18054 2/20 0.62
POLB P06746 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
EIF4E P06730 1/20 0.59
EIF4G1 Q04637 1/20 0.59
THRB P10828 1/20 0.59
MAP3K5 Q99683 7/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
TNFRSF1A P19438 1/20 0.53
PKM P14618 1/20 0.51

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
SCHEMBL4402019 0.88 ENPP2 (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL4398637 0.88 ENPP2 (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL30774050 0.85 SYK (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL1135868 0.85 SYK (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL12668370 0.85 SYK (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL1135867 0.85 SYK (1.00) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL3897828 0.83 MAP3K5 (0.78) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL3897831 0.83 MAP3K5 (0.78) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL3132334 0.80 MAPT (0.73) ENPP2SYKMEN1KMT2AALDH1A1
SCHEMBL3132328 0.80 MAPT (0.73) ENPP2SYKMEN1KMT2AALDH1A1

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