SCHEMBL8042281

SCHEMBL8042281

Clc1ccc(-c2csc(Sc3nnc(-c4cccs4)n3C3CCCCC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 6/20 0.41
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 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
SCHEMBL8043257 0.91 KDM4E (0.43) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8051935 0.84 GAA (0.39) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8050181 0.83 KDM4E (0.46) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8048096 0.81 MAPT (0.55) GAAKDM4ENPSR1L3MBTL1MAPT
SCHEMBL8051082 0.80 TSHR (0.55) GAAKDM4ENPSR1MAPTHSD17B10
SCHEMBL8049864 0.78 KDM4E (0.44) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8050192 0.78 HSD17B10 (0.51) GAAKDM4ENPSR1MAPTHSD17B10
SCHEMBL8044125 0.77 KDM4E (0.47) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8043226 0.77 ALDH1A1 (0.48) GAAKDM4ENPSR1APOBEC3GL3MBTL1
SCHEMBL8045239 0.76 NPSR1 (0.41) GAAKDM4ENPSR1APOBEC3GL3MBTL1

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