SCHEMBL8033946

SCHEMBL8033946

O=C(O)Cc1csc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL8043598 0.82 RECQL (0.55) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL8051302 0.82 ATM (0.48) ATMSMN1; SMN2HTTPOLBMEN1
SCHEMBL8032636 0.81 ATM (0.47) ATMSMN1; SMN2HTTMEN1KMT2A
SCHEMBL8042821 0.79 RPA1 (0.54) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL8050649 0.79 RECQL (0.37) MEN1KMT2AALDH1A1
SCHEMBL8045955 0.78 RXRA (0.39) POLBNPC1RAB9AALDH1A1
SCHEMBL8046541 0.78 KDM4E (0.47) SMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL8047690 0.77 SMN1; SMN2 (0.50) ATMSMN1; SMN2HTTPOLBMEN1
SCHEMBL8043910 0.76 ALPG (0.46) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL8050081 0.76 TSHR (0.48) ATMSMN1; SMN2HTTL3MBTL1

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