SCHEMBL9747992

SCHEMBL9747992

c1csc(N=Nc2nccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 3/20 0.45
HSP90AA1 P07900 2/20 0.45
PAX8 Q06710 1/20 0.45
KCNH2 Q12809 1/20 0.45
RIOK2 Q9BVS4 1/20 0.45
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 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
SCHEMBL2199674 0.81 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL4758803 0.78 NPC1 (0.40) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL1305761 0.74 KMT2A (0.50) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL1305759 0.74 KMT2A (0.50) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL9066032 0.72 MAOA (0.53) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL9066034 0.72 MAOA (0.53) MAPTKMT2AL3MBTL1KDM4EPOLB
SCHEMBL27414448 0.72 MAOA (0.53) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL3683056 0.70 KMT2A (0.66) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL8743293 0.69 L3MBTL1 (0.55) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL8669440 0.69 MAPT (0.67) MAPTKMT2AL3MBTL1MEN1KDM4E

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-5112362-A NAVY DYE MIXTURES OF AZO DISPERSE DYES FOR POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed