SCHEMBL8034157

SCHEMBL8034157

O=C(O)Cn1nnnc1Sc1nc2c(Cl)cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
F2RL3 Q96RI0 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSMB8 P28062 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8038020 0.84 P2RX7 (0.44) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8050909 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8051988 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8032445 0.82 ALDH1A1 (0.50) AKR1B1GAAKMT2ALMNANPC1
SCHEMBL8033771 0.82 HSP90AA1 (0.43) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8048089 0.80 HSP90AA1 (0.57) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8042032 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8042769 0.78 AKR1B1 (0.40) AKR1B1HSP90AA1HSP90AB1GAAKMT2A
SCHEMBL8046039 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1GAAKMT2ALMNA
SCHEMBL8032713 0.78 HPGD (0.47) HSP90AA1HSP90AB1KMT2ALMNAMAPT

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