SCHEMBL8518947

SCHEMBL8518947

c1ccc2c(NN=Nc3nccs3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RIOK2 Q9BVS4 2/20 0.52
HSP90AA1 P07900 1/20 0.52
PAX8 Q06710 1/20 0.52
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.44
CCR4 P51679 4/20 0.38
GAA P10253 2/20 0.37
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 5/20 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
SCHEMBL8518945 1.00 MAPT (0.52) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL28134113 0.76 KMT2A (0.61) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL18874941 0.76 KMT2A (0.61) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL8743296 0.75 TDP1 (0.48) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL4908899 0.72 SIGMAR1 (0.50) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL1572609 0.72 TSHR (0.52) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL22062012 0.72 SIGMAR1 (0.50) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL1348095 0.72 TSHR (0.52) MAPTKMT2AMEN1KDM4ERAB9A
Hydrochloric Acid SCHEMBL5846986 0.70 TSHR (0.50) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL2732741 0.69 MAPT (1.00) MAPTKMT2AMEN1KDM4ERAB9A

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-6001331-A INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 WO disclosed