SCHEMBL8042769

SCHEMBL8042769

O=C(O)Cn1nnc(Sc2nc3c(Cl)cccc3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
F2RL3 Q96RI0 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 2/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.35
SCD O00767 5/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8032982 0.84 RAB9A (0.40) AKR1B1F2RL3KMT2AMEN1GAA
SCHEMBL8033176 0.84 HSP90AA1 (0.44) F2RL3KMT2AMEN1GAAHSP90AA1
SCHEMBL8043551 0.83 SMN1; SMN2 (0.51) AKR1B1KMT2AMEN1MAPTRECQL
SCHEMBL8041887 0.82 HSP90AA1 (0.47) F2RL3KMT2AMEN1GAAHSP90AA1
SCHEMBL8032818 0.82 HSP90AA1 (0.39) AKR1B1F2RL3KMT2AMEN1GAA
SCHEMBL8042634 0.80 HSP90AA1 (0.52) F2RL3KMT2AMEN1GAAHSP90AA1
SCHEMBL8711423 0.79 GAA (0.37) F2RL3GAAHSP90AA1HSP90AB1LMNA
SCHEMBL8034157 0.78 AKR1B1 (0.42) AKR1B1F2RL3KMT2AMEN1GAA
SCHEMBL8044113 0.78 F2RL3 (0.44) AKR1B1F2RL3KMT2AMEN1GAA
SCHEMBL8045061 0.75 F2RL3 (0.42) AKR1B1F2RL3KMT2AMEN1GAA

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed