SCHEMBL2773244

SCHEMBL2773244

Cc1ccc(C(CCC(=O)c2ccc(N3CCOCC3)cc2)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
GSK3B P49841 1/20 0.49
AKR1C3 P42330 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 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
SCHEMBL3630398 0.90 GSK3B (0.50) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL21634368 0.82 NPC1 (0.47) NPC1RAB9ATP53PKMMAPK1
SCHEMBL194465 0.82 NPC1 (0.47) NPC1RAB9ATP53PKMMAPK1
SCHEMBL9279384 0.76 MAPT (0.44) NPC1RAB9ATP53MAPK1GSK3B
SCHEMBL28273757 0.76 MAPT (0.46) NPC1RAB9AGSK3BMAPTALDH1A1
SCHEMBL21054676 0.75 ALDH1A1 (0.48) NPC1RAB9AMAPK1GSK3BAKR1C3
SCHEMBL1073828 0.75 ALDH1A1 (0.48) NPC1RAB9AMAPK1GSK3BAKR1C3
SCHEMBL21681914 0.74 ALDH1A1 (0.43) NPC1RAB9ATP53MAPK1GSK3B
SCHEMBL5214166 0.74 ALDH1A1 (0.43) NPC1RAB9ATP53MAPK1GSK3B
SCHEMBL21834999 0.74 GSK3B (0.48) GSK3BMAPTALDH1A1KMT2ASMN1; SMN2

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-2238178-A2 PHOTOLATENT AMIDINE BASES FOR REDOX CURING OF RADICALLY CURABLE FORMULATIONS BASF SE (DE) 2010-10-13 EP disclosed
WO-2009095282-A2 PHOTOLATENT AMIDINE BASES FOR REDOX CURING OF RADICALLY CURABLE FORMULATIONS BASF SE (DE) 2009-08-06 WO disclosed