SCHEMBL9464761

SCHEMBL9464761

O=c1c(Cc2ccco2)nc(-c2ccccc2)nn1CCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ACP1 P24666 2/20 0.40
▸ TLR9 Q9NR96 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL9465027 0.88 MAPT (0.54) TSHRALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9465008 0.83 MAPT (0.47) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9465695 0.83 MEN1 (0.49) TSHRALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9465413 0.81 MEN1 (0.52) TSHRALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9464710 0.81 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9465745 0.81 SLC2A1 (0.47) TSHRALDH1A1MAPTKMT2AMEN1
SCHEMBL9464655 0.81 AVPR1B (0.47) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9464546 0.81 MAPT (0.47) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9464813 0.81 AVPR1B (0.46) SMN1; SMN2MAPTPOLBTDP1
SCHEMBL9465081 0.81 MAPT (0.45) TSHRALDH1A1SMN1; SMN2MAPTGAA

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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