SCHEMBL8290394

SCHEMBL8290394

O=C(O)c1cccc(C2CC=C(/C=C3\SC(=S)N(C4CCCCC4)C3=O)O2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 4/20 0.52
HSD17B3 P37058 2/20 0.46
ALDH1A1 P00352 3/20 0.46
DUSP22 Q9NRW4 5/20 0.46
KMO O15229 1/20 0.42
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AMY1A P0DUB6 1/20 0.38
DUSP26 Q9BV47 1/20 0.38
APEX1 P27695 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
SCHEMBL8334697 0.89 KMT2A (0.53) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL13766507 0.85 CISD1 (0.44) MEN1KMT2APOLBALDH1A1DUSP22
SCHEMBL13002193 0.78 PIK3CG (0.54) MEN1KMT2ARAB9A
SCHEMBL3896679 0.76 APEX1 (0.66) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL30089282 0.76 APEX1 (0.66) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3897410 0.76 APEX1 (0.66) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8337980 0.72 KMT2A (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13002189 0.71 KMO (0.46) MEN1KMT2APOLBALDH1A1KMO
SCHEMBL13436795 0.71 MEN1 (0.54) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3899838 0.69 STAT3 (0.63) MEN1KMT2APOLBALDH1A1MAPT

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-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed