SCHEMBL257260

SCHEMBL257260

Cc1ccccc1C(=O)c1sc(N)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORB Q92753 11/20 0.60
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 1/20 0.60
PKM P14618 1/20 0.56
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
RORC P51449 2/20 0.51
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL27653923 0.85 ALDH1A1 (0.64) RORBALDH1A1HSD17B10PKMPOLB
SCHEMBL257375 0.83 RORB (0.60) RORBALDH1A1HSD17B10PKMPOLB
SCHEMBL257269 0.83 RORB (0.60) RORBALDH1A1HSD17B10RORCCYP1A2
SCHEMBL257608 0.83 RORB (0.83) RORBALDH1A1HSD17B10POLBGAA
SCHEMBL257433 0.83 RORB (0.72) RORBALDH1A1HSD17B10POLBRORC
SCHEMBL165773 0.81 ADORA3 (0.61) RORBALDH1A1HSD17B10PKMPOLB
SCHEMBL1256138 0.81 ADORA2A (0.51) RORBALDH1A1HSD17B10PKMPOLB
SCHEMBL256651 0.80 RORB (0.79) RORBALDH1A1HSD17B10RORCCYP1A2
SCHEMBL330400 0.79 ALDH1A1 (0.65) RORBALDH1A1HSD17B10PKMPOLB
SCHEMBL2762916 0.79 ALDH1A1 (0.64) RORBALDH1A1HSD17B10PKMPOLB

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-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed