SCHEMBL2013415

SCHEMBL2013415

COC(=O)c1cccc2c1nnn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
FGFR1 P11362 1/20 0.45
FGFR4 P22455 1/20 0.45
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
RIPK1 Q13546 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PIK3CB P42338 1/20 0.40
NPC1 O15118 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
SCHEMBL2012449 0.82 HCAR3 (0.45) KDM4EKMT2AGAAALDH1A1HSD17B10
SCHEMBL30622603 0.82 HCAR3 (0.45) KDM4EKMT2AGAAALDH1A1HSD17B10
SCHEMBL8953225 0.80 KDM4E (0.38) NR4A2KDM4EKMT2ALMNATSHR
SCHEMBL17921441 0.76 NR4A2 (0.50) NR4A2KDM4EKMT2AGAALMNA
SCHEMBL17910027 0.76 KMT2A (0.37) NR4A2KDM4EKMT2AGAAALDH1A1
SCHEMBL30618046 0.76 KMT2A (0.37) NR4A2KDM4EKMT2AGAAALDH1A1
SCHEMBL28443183 0.76 KDM4E (0.35) NR4A2KDM4EKMT2ALMNAALDH1A1
SCHEMBL2014506 0.75 KDM4E (0.43) NR4A2KDM4EKMT2AATMGAA
SCHEMBL3072756 0.75 NR4A2 (0.49) NR4A2FGFR1PKN1PKN2KDM4E
SCHEMBL7477385 0.74 PARP1 (0.49) NR4A2PKN1PKN2KDM4EKMT2A

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed