SCHEMBL8050412

SCHEMBL8050412

Cc1cc(-n2nnnc2Sc2nc3c(Cl)cccc3s2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LMNA P02545 7/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 10/20 0.34
F2RL3 Q96RI0 1/20 0.34
MAPK1 P28482 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
TP53 P04637 3/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB8 P28062 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 0.85 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAPDE10APOLB
SCHEMBL8033225 0.83 ALDH1A1 (0.47) LMNAPOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL8048346 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8043413 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8042804 0.80 ALDH1A1 (0.49) HSP90AA1HSP90AB1LMNAALDH1A1MAPK1
SCHEMBL8044236 0.79 ALDH1A1 (0.40) HSP90AA1HSP90AB1LMNAPDE10AALDH1A1
SCHEMBL8051890 0.79 HSP90AA1 (0.48) HSP90AA1HSP90AB1LMNAPDE10APOLB
SCHEMBL8044005 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAPDE10APOLB
SCHEMBL8044231 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNAPDE10APOLB
SCHEMBL8048101 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1LMNAPDE10APOLB

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