SCHEMBL11516459

SCHEMBL11516459

CC1Sc2cc(N(C)C)ccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.44
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ APP P05067 2/20 0.32
▸ TERT O14746 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HTR7 P34969 2/20 0.31

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
SCHEMBL11515562 0.77 NPSR1 (0.34) KMT2ANPSR1
SCHEMBL3419052 0.71 SNCA (0.76) SNCAMEN1MAPK1KMT2ATDP1
SCHEMBL16728889 0.70 MAOA (0.45) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL29814962 0.70 MAOA (0.45) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL6519850 0.69 PDGFRB (0.42) SNCAMEN1KMT2ATDP1L3MBTL1
SCHEMBL5675185 0.69 SNCA (0.48) SNCATDP1L3MBTL1ALDH1A1TSHR
Iodide SCHEMBL17092835 0.68 MAOA (0.43) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28166077 0.68 PDGFRB (0.41) SNCAMEN1KMT2ATDP1L3MBTL1
Bromide SCHEMBL28295077 0.68 PDGFRB (0.41) SNCAMEN1KMT2ATDP1L3MBTL1
Iodide SCHEMBL9432266 0.68 PDGFRB (0.37) SNCAMEN1MAPK1KMT2ATDP1

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-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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