SCHEMBL8032982

SCHEMBL8032982

Clc1cccc2sc(Sc3nnn(Cc4ccccc4)n3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 5/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
AKR1B1 P15121 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
MGAM O43451 2/20 0.36
SI P14410 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
SCHEMBL8032818 0.90 HSP90AA1 (0.39) RAB9AL3MBTL1LMNAMAPTNPC1
SCHEMBL8711423 0.87 GAA (0.37) RAB9AL3MBTL1LMNAMAPTNPC1
SCHEMBL8033176 0.86 HSP90AA1 (0.44) RAB9ALMNAMAPTNPC1HSP90AA1
SCHEMBL8052354 0.84 L3MBTL1 (0.46) RAB9AL3MBTL1LMNAMAPTNPC1
SCHEMBL8042769 0.84 AKR1B1 (0.40) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8041887 0.84 HSP90AA1 (0.47) RAB9ALMNAMAPTNPC1HSP90AA1
SCHEMBL8042634 0.82 HSP90AA1 (0.52) RAB9ALMNAMAPTHSP90AA1HSP90AB1
SCHEMBL8044113 0.80 F2RL3 (0.44) RAB9ALMNAMAPTNPC1HSP90AA1
SCHEMBL8038020 0.77 P2RX7 (0.44) RAB9ALMNAMAPTNPC1HSP90AA1
SCHEMBL8045061 0.77 F2RL3 (0.42) RAB9ALMNAMAPTNPC1HSP90AA1

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