SCHEMBL8044352

SCHEMBL8044352

O=C(O)Cc1csc(Sc2nnnn2C2CCCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 13/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 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
SCHEMBL8032345 0.77 HSD17B10 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL8046719 0.77 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDALOX15
SCHEMBL8051238 0.76 HSD17B10 (0.42) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL8042994 0.75 GABRA5 (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8046056 0.75 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EHPGDALOX15
SCHEMBL8044815 0.74 GABRA5 (0.40) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8043409 0.74 HSD17B10 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8047610 0.74 GAA (0.46) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8051833 0.74 POLB (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL8044541 0.74 ALOX15 (0.41) ALDH1A1HPGDALOX15HSD17B10MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed