SCHEMBL8044154

SCHEMBL8044154

Clc1cccc2sc(Sc3nnc(-c4ccccn4)n3-c3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
TERT O14746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TLR5 O60602 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8047373 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ATMNPC1LMNATSHR
SCHEMBL8046872 0.82 RPA1 (0.52) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8044158 0.82 TSHR (0.54) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8041927 0.80 TP53 (0.47) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8042069 0.79 LMNA (0.40) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8044821 0.79 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8042581 0.78 ATM (0.47) SMN1; SMN2ATMMAPTNPC1TSHR
SCHEMBL8050159 0.78 LMNA (0.42) SMN1; SMN2MAPTNPC1LMNATSHR
SCHEMBL8051092 0.78 ATM (0.47) SMN1; SMN2ATMMAPTNPC1LMNA
SCHEMBL8720215 0.76 HTT (0.48) SMN1; SMN2MAPTNPC1LMNATSHR

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