SCHEMBL624231

SCHEMBL624231

O=C1CCOC(=Cc2ccccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.45
IKBKB O14920 3/20 0.45
RAF1 P04049 3/20 0.45
RPS6KB1 P23443 3/20 0.45
AKT1 P31749 3/20 0.45
AKT2 P31751 3/20 0.45
KDR P35968 3/20 0.45
MAPKAPK2 P49137 3/20 0.45
PRKAG1 P54619 3/20 0.45
MAP2K1 Q02750 3/20 0.45
PRKAA1 Q13131 3/20 0.45
NEK1 Q96PY6 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
PRDX1 Q06830 1/20 0.45
MAPK14 Q16539 1/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ATM Q13315 2/20 0.45
MAOB P27338 1/20 0.45
MIF P14174 2/20 0.43

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
SCHEMBL28575415 0.76 ALDH1A1 (0.56) MAPTMAOBMIFKMT2AALDH1A1
SCHEMBL28575414 0.76 ALDH1A1 (0.56) MAPTMAOBMIFKMT2AALDH1A1
SCHEMBL625589 0.73 MAPK1 (0.45) MAPK1MAPTSMN1; SMN2MAOBMIF
SCHEMBL624667 0.72 MAPT (0.53) MAPK1MAPTSMN1; SMN2ATMMAOB
SCHEMBL27087665 0.71 MAPK1 (0.50) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL7010383 0.68 MAPT (0.52) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL6400581 0.68 MAPK1 (0.50) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL625784 0.67 KMT2A (0.57) MAOBMIFRAB9AMEN1KMT2A
SCHEMBL12948680 0.66 MAPK1 (0.70) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL5593729 0.65 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed