SCHEMBL8047690

SCHEMBL8047690

c1ccc(-n2c(Sc3nccs3)nnc2-c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 6/20 0.46
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
TLR5 O60602 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8051302 0.83 ATM (0.48) SMN1; SMN2ATMTSHRKDM4EHSD17B10
SCHEMBL8041924 0.82 TSHR (0.66) SMN1; SMN2TSHRKDM4EHSD17B10MEN1
SCHEMBL8032636 0.82 ATM (0.47) SMN1; SMN2ATMTSHRMEN1KMT2A
SCHEMBL8047373 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ATMTSHRKDM4EHSD17B10
SCHEMBL8042581 0.80 ATM (0.47) SMN1; SMN2ATMTSHRMEN1KMT2A
SCHEMBL8051092 0.79 ATM (0.47) SMN1; SMN2ATMTSHROPRK1MEN1
SCHEMBL8719307 0.79 TP53 (0.48) SMN1; SMN2TSHRKDM4EHSD17B10MEN1
SCHEMBL8042081 0.78 TSHR (0.44) SMN1; SMN2TSHRKDM4EHSD17B10MEN1
SCHEMBL8050081 0.78 TSHR (0.48) SMN1; SMN2ATMTSHRL3MBTL1HTT
SCHEMBL8052238 0.77 POLB (0.45) SMN1; SMN2ATMTSHRKDM4EMEN1

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