SCHEMBL2581802

SCHEMBL2581802

COC(=O)c1cc(S(=O)(=O)NC2CC2)cc2[nH]nc(C(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.37
MAP2K7 O14733 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARG Q86W56 1/20 0.34
POLB P06746 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
STK25 O00506 1/20 0.34
YAP1 P46937 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL2591509 0.79 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2AGLA
SCHEMBL2592617 0.74 MAP2K4 (0.41) MAP2K4LMNAMAPT
SCHEMBL2593108 0.74 NQO2 (0.40) LMNAALDH1A1GLAMAPT
SCHEMBL2592029 0.70 MCL1 (0.41) MAP2K4MAP2K7ALDH1A1TP53MEN1
SCHEMBL12180879 0.68 KMT2A (0.39) LMNAALDH1A1NPC1MEN1KMT2A
SCHEMBL21292761 0.65 KMT2A (0.62) LMNAALDH1A1TP53KMT2APOLB
SCHEMBL28257095 0.62 ALDH1A1 (0.74) LMNAALDH1A1KMT2APARGPOLB
SCHEMBL2589397 0.61 OPRK1 (0.38) LMNAPOLB
SCHEMBL21545492 0.60 NPC1 (0.55) LMNAALDH1A1NPC1TP53KMT2A
SCHEMBL2584137 0.59 OPRK1 (0.42) MAP2K4MEN1KMT2AMAPT

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