SCHEMBL4199683

SCHEMBL4199683

CCCN(CO)CCCS(=O)(=O)N1CC[CH]CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
RYR2 Q92736 1/20 0.31
IKBKB O14920 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 2/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4197849 0.83 LMNA (0.43) LMNAGAAPKML3MBTL1RYR2
SCHEMBL4191321 0.77 LMNA (0.34) LMNAGAAIKBKBALDH1A1
SCHEMBL4199003 0.77 BRD4 (0.36) LMNAL3MBTL1IKBKBALDH1A1TSHR
SCHEMBL4202856 0.76 CYP2D6 (0.32) LMNAGAAPKML3MBTL1IKBKB
SCHEMBL4196412 0.74 CA2 (0.33) LMNAGAAPKMNPC1
SCHEMBL4288139 0.74 L3MBTL1 (0.49) LMNAGAAPKML3MBTL1KDM4E
SCHEMBL4205152 0.73 LMNA (0.38) LMNAGAAPKML3MBTL1RYR2
SCHEMBL4203149 0.73
SCHEMBL26140963 0.71 APP (0.37) LMNACYP2C19
SCHEMBL4207795 0.71 TSHR (0.34) GAANPC1IKBKBCYP2D6CYP2C19

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-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO disclosed