SCHEMBL9465629

SCHEMBL9465629

Cc1nc(-c2ccccc2)nn(CCN2CCOCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL9464991 0.88 ALDH1A1 (0.47) TLR9SMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL9465107 0.86 AVPR1B (0.53) TLR9SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL9464969 0.84 TSHR (0.46) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9465695 0.82 MEN1 (0.49) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9465027 0.82 MAPT (0.54) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9465413 0.80 MEN1 (0.52) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9465008 0.78 MAPT (0.47) SMN1; SMN2ALDH1A1TSHRKMT2AMEN1
SCHEMBL9464761 0.78 TSHR (0.45) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9464710 0.78 ALDH1A1 (0.45) TLR9SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9464813 0.78 AVPR1B (0.46) SMN1; SMN2POLBMAPTRAB9AL3MBTL1

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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