SCHEMBL8047858

SCHEMBL8047858

Cc1nnc(Sc2nc3c(Cl)cccc3s2)n1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.48
HSP90AB1 P08238 5/20 0.48
LMNA P02545 3/20 0.42
PDE10A Q9Y233 1/20 0.42
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB8 P28062 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2RL3 Q96RI0 3/20 0.39
NPC1 O15118 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL8043566 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8042284 0.83 TSHR (0.56) HSP90AA1HSP90AB1LMNAMAPTHPGD
SCHEMBL8051686 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8051890 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8042817 0.79 ALDH1A1 (0.50) HSP90AA1HSP90AB1LMNAMAPTHPGD
SCHEMBL8044113 0.77 F2RL3 (0.44) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8043293 0.76 LMNA (0.46) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8051988 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8045517 0.74 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAPDE10AMAPT
SCHEMBL8050909 0.74 HSP90AA1 (0.48) HSP90AA1HSP90AB1LMNAPDE10AMAPT

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