SCHEMBL2592544

SCHEMBL2592544

CC(C)c1n[nH]c2cc(Br)cc(C(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
HCAR3 P49019 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
DHODH Q02127 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.34
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2594455 0.82 PPARA (0.40) PPARAHCAR3HCAR2AKR1C4AKR1C3
SCHEMBL29951743 0.75 AKR1C3 (0.38) HCAR2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2588883 0.72 HCAR2 (0.39) PPARAHCAR2AKR1C4AKR1C3AKR1C2
SCHEMBL2592029 0.72 MCL1 (0.41) POLB
SCHEMBL2592617 0.68 MAP2K4 (0.41)
SCHEMBL2593108 0.68 NQO2 (0.40) HSD17B10
SCHEMBL30123024 0.68 HCAR3 (0.35) PPARAHCAR3HCAR2PPARGPOLB
SCHEMBL17970547 0.66 AKR1C3 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1DHODH
SCHEMBL6231360 0.65 HCAR3 (0.39) PPARAHCAR3HCAR2HSD17B10POLB
SCHEMBL11886213 0.65 PDPK1 (0.58) DYRK1A

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
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed