SCHEMBL8809403

SCHEMBL8809403

CCOC(=O)CCc1csc2nc(C)cc(=O)n12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KAT2B Q92831 2/20 0.42
TP53 P04637 2/20 0.39
KAT2A Q92830 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL8809643 0.79 ALDH1A1 (0.41) MAPTMEN1KMT2APKMHTT
SCHEMBL8811740 0.76 ALDH1A1 (0.38) MAPTPKMALDH1A1TP53RXFP1
SCHEMBL10998811 0.73 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL24984391 0.73 ALDH1A1 (0.49) MAPTPKMALDH1A1TP53RXFP1
SCHEMBL1137660 0.72 IDO1 (0.40) MEN1KMT2AALDH1A1KAT2BTP53
SCHEMBL1137761 0.70 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1KAT2B
Hydrochloric Acid SCHEMBL10993012 0.69 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL21570111 0.67 LMNA (0.49) MAPTMEN1KMT2AALDH1A1KAT2B
SCHEMBL8812973 0.66 L3MBTL1 (0.49) MAPTMEN1KMT2APKMHTT
SCHEMBL20403452 0.65 ALDH1A1 (0.45) MAPTMEN1KMT2APKMALDH1A1

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
EP-0794185-A1 BICYCLIC THIAZOLE COMPOUND MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-10 EP disclosed