SCHEMBL8043413

SCHEMBL8043413

Clc1cccc2sc(Sc3nnnn3-c3ccc(Br)s3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 4/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSMB8 P28062 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8041844 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8048101 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8048346 0.83 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8043070 0.83 ALDH1A1 (0.41) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8044849 0.82 ALDH1A1 (0.49) HSP90AA1HSP90AB1LMNAALDH1A1HPGD
SCHEMBL8042804 0.82 ALDH1A1 (0.49) HSP90AA1HSP90AB1LMNAALDH1A1HPGD
SCHEMBL8050412 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8044766 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8051157 0.78 ALDH1A1 (0.45) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8051890 0.78 HSP90AA1 (0.48) 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