SCHEMBL6561240

SCHEMBL6561240

Cc1ccccc1CNC(CC(=O)OC(C)(C)C)c1ccc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.37
ASAH1 Q13510 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
LMNA P02545 2/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL6071015 0.77 L3MBTL1 (0.40) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL6070621 0.75 ALDH1A1 (0.42) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL6436048 0.68 HPGD (0.45) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL5387329 0.66 UTS2R (0.45) CYP1A2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL5070882 0.66 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL12318344 0.66 MTNR1A (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6779226 0.65 KMT2A (0.34) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL5402611 0.65 CA12 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12561165 0.65 HDAC1 (0.52) CYP1A2MEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL10434706 0.65 NPC1 (0.55) KDM4ENOTUMCYP1A2MEN1KMT2A

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-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO disclosed