SCHEMBL8046872

SCHEMBL8046872

Clc1cccc2sc(Sc3nnc(-c4cc5ccccc5s4)n3-c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.52
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 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
SCHEMBL8044158 0.86 TSHR (0.54) LMNAMAPTNPC1TSHRKDM4E
SCHEMBL8046211 0.84 RPA1 (0.48) RPA1LMNAMAPTNPC1TSHR
SCHEMBL8044154 0.82 SMN1; SMN2 (0.43) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8049440 0.81 RPA1 (0.51) RPA1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL8033921 0.80 RPA1 (0.47) RPA1MAPTTSHRKDM4EHSD17B10
SCHEMBL8041927 0.80 TP53 (0.47) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8042069 0.79 LMNA (0.40) RPA1LMNAMAPTNPC1HSP90AA1
SCHEMBL8042687 0.79 RPA1 (0.48) RPA1MAPTNPC1TSHRKDM4E
SCHEMBL8044821 0.79 ALDH1A1 (0.47) RPA1LMNAMAPTNPC1HSP90AA1
SCHEMBL8048191 0.78 TSHR (0.45) MAPTTSHRKDM4EHSD17B10SMN1; SMN2

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