SCHEMBL11636291

SCHEMBL11636291

CCN(CC)Cc1cccc(C#N)c1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.40
▸ CSNK2A1 P68400 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ SCN5A Q14524 1/20 0.38

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
SCHEMBL11624619 0.85 ALOX15 (0.46) BCHEALDH1A1LMNAMAPTL3MBTL1
SCHEMBL11619462 0.80 MAPT (0.55) BCHEALDH1A1LMNAMAPTL3MBTL1
SCHEMBL29137655 0.74 TSHR (0.44) BCHEALDH1A1LMNAMAPTL3MBTL1
SCHEMBL11618680 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL30320184 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL11619727 0.71 DYRK1A (0.41) BCHEALDH1A1LMNAMAPTL3MBTL1
SCHEMBL4338457 0.69 CYP2C19 (0.54) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL11619260 0.68 POLB (0.42) BCHEALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL11621277 0.68 RAB9A (0.50) ALDH1A1LMNAMAPTKDM4EHPGD
Ammonia Solution, Strong SCHEMBL11142977 0.67 CYP2C19 (0.53) ALDH1A1LMNAMAPTKDM4EHTT

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-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 — — US disclosed
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