Toluene

Toluene

SCHEMBL2285073

Cc1ccccc1.O=C(O)c1cc(Cl)c[nH]c1=O

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.75
KDM4E B2RXH2 2/20 0.47
PRKAB2 O43741 3/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA2 P54646 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAG3 Q9UGI9 3/20 0.45
PRKAG2 Q9UGJ0 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
TTR P02766 1/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ACLY P53396 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 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
SCHEMBL21416921 0.87 DYRK1A (1.00) DYRK1AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL16918346 0.76 DYRK1A (0.60) DYRK1AKDM4EDAONAPRTTTR
SCHEMBL25023618 0.74 DYRK1A (0.69) DYRK1AKDM4EDAOGAAF7
Hydrochloric Acid SCHEMBL17597584 0.74 DYRK1A (0.58) DYRK1AKDM4EDAONAPRTTTR
SCHEMBL11171235 0.74 MCL1 (0.56) DYRK1AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL11166619 0.74 AKR1C2 (0.54) DYRK1AKDM4EDAONAPRTPOLB
SCHEMBL11161805 0.74 MCL1 (0.57) DYRK1AKDM4ENAPRTTTRGAA
SCHEMBL10901104 0.74 DYRK1A (0.58) DYRK1AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL396923 0.71 AURKA (0.58) DYRK1AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL11164633 0.71 DYRK1A (0.64) DYRK1AKDM4EPRKAB2PRKAG1PRKAA2

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
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed