SCHEMBL625689

SCHEMBL625689

O=C1CCCC1=Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.58
IKBKB O14920 5/20 0.58
PRKAG1 P54619 5/20 0.58
PRKAA1 Q13131 5/20 0.58
NEK1 Q96PY6 5/20 0.58
PRKAB1 Q9Y478 5/20 0.58
RAF1 P04049 3/20 0.58
RPS6KB1 P23443 3/20 0.58
AKT1 P31749 3/20 0.58
AKT2 P31751 3/20 0.58
KDR P35968 3/20 0.58
MAPKAPK2 P49137 3/20 0.58
MAP2K1 Q02750 3/20 0.58
PRDX1 Q06830 1/20 0.58
MAPK14 Q16539 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
MIF P14174 2/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54

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
SCHEMBL29487479 0.97 MAPK1 (0.58) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL5593729 0.97 MAPK1 (0.58) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL5593917 0.97 MAPK1 (0.58) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL624237 0.97 MAPK1 (0.58) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL12948680 0.88 MAPK1 (0.70) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17017319 0.79 ALDH1A1 (0.44) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL26246396 0.76 MAPT (0.51) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899536 0.76 IKBKB (0.68) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL6400581 0.76 MAPK1 (0.50) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899483 0.75 MAPT (0.76) MAPK1IKBKBPRKAG1PRKAA1NEK1

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