SCHEMBL288848

SCHEMBL288848

COc1cccc(CN2C(=O)CCC2(I)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
CMA1 P23946 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4460381 0.82 HCRTR1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL290017 0.81 KMT2A (0.43) SIGMAR1KMT2AMEN1L3MBTL1PTGER4
SCHEMBL288186 0.79 SMN1; SMN2 (0.46) SIGMAR1KMT2AMEN1PTGER4PTGER2
SCHEMBL10689115 0.75 NPSR1 (0.51) NPSR1SIGMAR1KMT2AMEN1L3MBTL1
SCHEMBL288660 0.75 HTT (0.43) PTGER4PTGER2ALDH1A1KDM4EMAPT
SCHEMBL288451 0.71 GYS1 (0.58) NPSR1CMA1SIGMAR1KMT2AALDH1A1
SCHEMBL1612182 0.71 GYS1 (0.58) NPSR1CMA1SIGMAR1KMT2AALDH1A1
SCHEMBL11080677 0.70 L3MBTL1 (0.52) NPSR1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL26128078 0.70 L3MBTL1 (0.57) NPSR1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8115518 0.70 CMA1 (0.79) CMA1SIGMAR1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO disclosed