SCHEMBL11823585

SCHEMBL11823585

COc1ccc(Nc2ccnnc2NN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPT P10636 6/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ HTT P42858 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MMP14 P50281 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ PTGS1 P23219 2/20 0.45
▸ PTGS2 P35354 2/20 0.45

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
SCHEMBL11823547 0.81 LMNA (0.43) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL11825813 0.80 PTGS1 (0.44) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL11821784 0.78 MAPT (0.48) GAAMEN1KMT2AL3MBTL1MAPT
SCHEMBL11827688 0.77 EPHX2 (0.41) GAAMEN1KMT2AL3MBTL1MAPT
SCHEMBL10817008 0.73 GOT1 (0.41) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL11826081 0.72 GOT1 (0.38) MAPTRAB9AALDH1A1KDM4ETDP1
SCHEMBL30683210 0.72 PDPK1 (0.59) GAAMEN1KMT2AL3MBTL1MAPT
SCHEMBL26618968 0.72 PDPK1 (0.59) GAAMEN1KMT2AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL11824418 0.71 GOT1 (0.38) MAPTRAB9AALDH1A1KDM4ETDP1
SCHEMBL14280707 0.70 GAA (0.59) GAAMEN1KMT2AL3MBTL1MAPT

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-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
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