SCHEMBL3661276

SCHEMBL3661276

CC(NC(=O)[C@H](C)N)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.50
ALOX15 P16050 1/20 0.50
NAMPT P43490 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 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
SCHEMBL15946929 0.87 ALOX12 (0.52) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL29391897 0.83 ALOX12 (0.46) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL15948901 0.81 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL21814162 0.81 NPC1 (0.48) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL4480948 0.81 NPC1 (0.48) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL7628174 0.81 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19669117 0.79 ALOX12 (0.49) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19318589 0.77 ALOX12 (0.47) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19323073 0.77 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A
SCHEMBL19324441 0.77 ALOX12 (0.50) ALOX12ALOX15NAMPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed