SCHEMBL10062873

SCHEMBL10062873

O=C1/C(=C/c2ccccn2)CSC/C1=C\c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 1.00
IKBKB O14920 5/20 1.00
PRKAG1 P54619 5/20 1.00
PRKAA1 Q13131 5/20 1.00
NEK1 Q96PY6 5/20 1.00
PRKAB1 Q9Y478 5/20 1.00
RAF1 P04049 3/20 1.00
RPS6KB1 P23443 3/20 1.00
AKT1 P31749 3/20 1.00
AKT2 P31751 3/20 1.00
KDR P35968 3/20 1.00
MAPKAPK2 P49137 3/20 1.00
MAP2K1 Q02750 3/20 1.00
PRDX1 Q06830 1/20 0.68
MAPK14 Q16539 1/20 0.68
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
ALDH1A1 P00352 4/20 0.62

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
SCHEMBL31070046 1.00 MAPK1 (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL29794510 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL21460535 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL12948680 0.81 MAPK1 (0.70) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8106620 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL21460534 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899536 0.79 IKBKB (0.68) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8120726 0.77 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899485 0.77 MAPT (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL29437157 0.77 IKBKB (1.00) 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