SCHEMBL4796014

SCHEMBL4796014

NCc1c(O)c(Br)cc2[nH]cc(C(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 7/20 0.40
▸ PRKAG1 P54619 7/20 0.40
▸ PRKAA2 P54646 7/20 0.40
▸ PRKAA1 Q13131 7/20 0.40
▸ PRKAG3 Q9UGI9 7/20 0.40
▸ PRKAG2 Q9UGJ0 7/20 0.40
▸ PRKAB1 Q9Y478 7/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ AKR1C4 P17516 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ AKR1C1 Q04828 2/20 0.39
▸ TTR P02766 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ PTPN2 P17706 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2045109 0.75 HSD17B10 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417709 0.68 GPR17 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417782 0.68 F7 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417717 0.68 MYC (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417708 0.66 TUBB1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL35210895 0.65 GPR17 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2769281 0.64 CYP2A6 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25331893 0.64 PRKAG1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22790098 0.63 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6838151 0.62 CYP1A2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120079-A3 4-AMINOMETHYL-6-BROMINE-5-HYDROXYINDOL-3-CARBOXILATE DERIVATIVES, METHOD FOR THE PRODUCTION (VARIANTS) AND THE USE THEREOF OBSCHESTVO S OGRANICHENNOY OTV (RU) 2008-01-10 — — WO disclosed
WO-2007120079-A2 4-AMINOMETHYL-6-BROMINE-5-HYDROXYINDOL-3-CARBOXILATE DERIVATIVES, METHOD FOR THE PRODUCTION (VARIANTS) AND THE USE THEREOF OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTJU 'MBF' (RU) 2007-10-25 — — WO disclosed
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