SCHEMBL11826546

SCHEMBL11826546

COc1ccc(Nc2cc(NN)nnc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ GAA P10253 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ POLB P06746 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MMP14 P50281 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ RAD52 P43351 1/20 0.41

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
SCHEMBL11833599 0.84 MAPT (0.40) MAPTGAARAB9AALDH1A1POLB
SCHEMBL11818693 0.83 MAPT (0.46) MAPTGAARAB9AALDH1A1HTT
SCHEMBL11823559 0.82 MAPT (0.50) MAPTGAARAB9AALDH1A1HTT
SCHEMBL11833640 0.80 ALDH1A1 (0.46) MAPTGAARAB9AALDH1A1HTT
SCHEMBL11821784 0.74 MAPT (0.48) MAPTGAARAB9AALDH1A1HTT
SCHEMBL11821832 0.74 RAB9A (0.52) MAPTGAARAB9AALDH1A1HTT
SCHEMBL11833039 0.71 GAA (0.41) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL11823585 0.69 GAA (0.51) MAPTGAARAB9AALDH1A1HTT
SCHEMBL9754619 0.68 MAPT (0.57) MAPTGAARAB9AALDH1A1HTT
SCHEMBL4933031 0.68 MAPT (0.57) MAPTGAARAB9AALDH1A1HTT

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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