SCHEMBL10337279

SCHEMBL10337279

CNc1c(OC)cc(C#N)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.46
▸ AR P10275 3/20 0.41
▸ GPR35 Q9HC97 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ SRC P12931 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ EGFR P00533 4/20 0.36
▸ ERBB2 P04626 3/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ GAK O14976 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL509507 0.76 ACHE (0.52) ARGPR35ALDH1A1KDM4ECACNA1G
SCHEMBL6644614 0.76 AR (0.49) ARGPR35HPGDSALDH1A1KDM4E
SCHEMBL31432665 0.76 AR (0.44) ARGPR35HPGDSALDH1A1KDM4E
SCHEMBL22954626 0.75 LRRK2 (0.54) LRRK2ARSLC6A4GAK
SCHEMBL7927104 0.74 AR (0.43) LRRK2ARGPR35HPGDSALDH1A1
SCHEMBL443285 0.74 TTR (0.52) ARALDH1A1KDM4EUSP2EGFR
SCHEMBL1614422 0.74 AR (0.43) ARGPR35HPGDSALDH1A1KDM4E
SCHEMBL7927109 0.74 ALDH1A1 (0.47) ARGPR35HPGDSALDH1A1KDM4E
SCHEMBL2093561 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2
SCHEMBL8706878 0.73 ACHE (0.54) ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265234-B Method for synthesizing aditoprim UNIV HUAZHONG AGRICULTURAL 2010-11-03 — — CN claimed
CN-101265234-A Method for synthesizing aditoprim UNIV HUAZHONG AGRICULTURAL (CN) 2008-09-17 — — CN claimed
US-4900859-A Process for 4-dimethylamino-3,5-dimethoxybenzaldehyde HOFFMAN-LA ROCHE INC. (US) 1990-02-13 — — US claimed
EP-0318826-A2 Process for the preparation of 4-dimethylamino-3,5-dimethoxybenzaldehyde F. HOFFMANN-LA ROCHE AG (CH) 1989-06-07 — — EP claimed
JP-2000245-A — — None — — JP disclosed
CN-101265234-B Method for synthesizing aditoprim UNIV HUAZHONG AGRICULTURAL 2010-11-03 — — CN disclosed
CN-101265234-A Method for synthesizing aditoprim UNIV HUAZHONG AGRICULTURAL (CN) 2008-09-17 — — CN disclosed
US-4900859-A Process for 4-dimethylamino-3,5-dimethoxybenzaldehyde HOFFMAN-LA ROCHE INC. (US) 1990-02-13 — — US disclosed
JP-H02245-A PREPARATION OF 4-DIMETHYLAMIO-3,5-DIMETHOXYBENZALDEHYDE F HOFFMANN LA ROCHE AG 1990-01-05 — — JP disclosed
EP-0318826-A2 Process for the preparation of 4-dimethylamino-3,5-dimethoxybenzaldehyde F. HOFFMANN-LA ROCHE AG (CH) 1989-06-07 — — EP disclosed
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