SCHEMBL8032636

SCHEMBL8032636

c1ccc(-c2csc(Sc3nnc(-c4ccccn4)n3-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL8050081 0.92 TSHR (0.48) ATMSMN1; SMN2SIRT2HTTLMNA
SCHEMBL8051302 0.87 ATM (0.48) ATMSMN1; SMN2RAB9ANPC1HTT
SCHEMBL8044252 0.87 ATM (0.41) ATMSMN1; SMN2HTTMAPK1TSHR
SCHEMBL8047690 0.82 SMN1; SMN2 (0.50) ATMSMN1; SMN2RAB9ANPC1HTT
SCHEMBL8049124 0.81 TSHR (0.60) SMN1; SMN2HTTMAPTMAPK1TSHR
SCHEMBL8033946 0.81 ATM (0.45) ATMSMN1; SMN2RAB9ANPC1HTT
SCHEMBL8047373 0.79 SMN1; SMN2 (0.47) ATMSMN1; SMN2RAB9ANPC1HTT
SCHEMBL8709945 0.79 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL8051092 0.78 ATM (0.47) ATMSMN1; SMN2RAB9ANPC1HTT
SCHEMBL8034048 0.78 KDM4E (0.53) SMN1; SMN2RAB9ANPC1LMNAMAPT

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed