SCHEMBL2301507

SCHEMBL2301507

O=C(O)C(Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 7/20 0.50
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PIN1 Q13526 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 1/20 0.39
ABCC4 O15439 1/20 0.39
C5 P01031 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4D Q08499 1/20 0.39

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
Hydrochloric Acid SCHEMBL657786 0.99 PRKCZ (0.49) PRKCZRAB9AKDM4EPIN1TDP1
SCHEMBL2301512 0.90 PRKCZ (0.61) PRKCZRAB9AKDM4EPIN1TDP1
SCHEMBL659483 0.82 PRKCZ (0.72) PRKCZRAB9AKDM4EPIN1TDP1
SCHEMBL11100682 0.82 PRKCZ (0.46) PRKCZRAB9AKDM4EPIN1TDP1
Hydrochloric Acid SCHEMBL657199 0.81 PRKCZ (0.71) PRKCZRAB9AKDM4EPIN1TDP1
SCHEMBL655992 0.79 PRKCZ (0.58) PRKCZRAB9AKDM4ETDP1NPC1
SCHEMBL657366 0.77 PRKCZ (0.56) PRKCZRAB9AKDM4ETDP1NPC1
SCHEMBL2304297 0.77 PRKCZ (0.68) PRKCZRAB9AKDM4EPIN1NPC1
SCHEMBL3100859 0.76 RAB9A (0.52) PRKCZRAB9AKDM4ETDP1NPC1
SCHEMBL2303912 0.76 PRKCZ (0.84) PRKCZRAB9AKDM4EPIN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed