SCHEMBL9465176

SCHEMBL9465176

CC(C)c1nc(-c2cccc3ccccc23)nn(C(C)N2CCOCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.40
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ HTR2C P28335 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ XRCC6 P12956 1/20 0.35
▸ XRCC5 P13010 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL9464688 0.86 LMNA (0.37) HTR2CALDH1A1HPGDKDM4EHTT
SCHEMBL9464961 0.83 HTT (0.39) ALDH1A1KDM4EHTTHSD17B10MEN1
SCHEMBL9464662 0.83 HTR2C (0.39) PRKDCPIK3CBPIK3CDHTR2CALDH1A1
SCHEMBL9465183 0.80 ALDH1A1 (0.43) PRKDCPIK3CBPIK3CDALDH1A1HPGD
SCHEMBL9464863 0.79 MAPT (0.42) PRKDCALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9464843 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL9465059 0.77 TDP1 (0.39) PRKDCPIK3CDALDH1A1KDM4EHTT
SCHEMBL9464971 0.77 LIPE (0.45) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL9464999 0.77 ALDH1A1 (0.40) PRKDCPIK3CBALDH1A1KDM4EHTT
SCHEMBL9465656 0.76 PRKDC (0.42) PRKDCALDH1A1KDM4EHTTHSD17B10

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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