SCHEMBL9465183

SCHEMBL9465183

CC(C)c1nc(-c2cccc3ccccc23)nn(CCN2CCOCC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 3/20 0.43
▸ USP2 O75604 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CNR1 P21554 6/20 0.40
▸ CNR2 P34972 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40

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
SCHEMBL9464694 0.86 ALDH1A1 (0.47) ALDH1A1HTTHPGDHSD17B10GAA
SCHEMBL9464969 0.84 TSHR (0.46) ALDH1A1GAATP53SMN1; SMN2TSHR
SCHEMBL9464791 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9464915 0.82 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10GAASMN1; SMN2
SCHEMBL9464667 0.80 ALDH1A1 (0.43) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL9465176 0.80 PRKDC (0.40) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL9464867 0.80 ADORA2A (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9464852 0.78 AVPR1B (0.53) ALDH1A1MAPTSMN1; SMN2SIGMAR1MEN1
SCHEMBL9465068 0.78 LMNA (0.50) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL9464784 0.78 MCHR1 (0.41) ALDH1A1HTTHSD17B10L3MBTL1TP53

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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