SCHEMBL8050909

SCHEMBL8050909

CCn1nnnc1Sc1nc2c(Cl)cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
LMNA P02545 4/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 7/20 0.38
GAA P10253 3/20 0.38
P2RX7 Q99572 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB8 P28062 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 3/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL8051988 0.91 HSP90AA1 (0.52) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8048089 0.89 HSP90AA1 (0.57) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8038020 0.86 P2RX7 (0.44) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8034157 0.84 AKR1B1 (0.42) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8051890 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8046039 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8047839 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAALDH1A1MAPT
SCHEMBL8033771 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8042032 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8045517 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1

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