SCHEMBL2592029

SCHEMBL2592029

CC(C)c1n[nH]c2cc(S(=O)(=O)Nc3ccccc3)cc(C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAP2K4 P45985 2/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.40
PKM P14618 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SGK1 O00141 1/20 0.39
CASP6 P55212 2/20 0.39
MAP2K7 O14733 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2592810 0.90 POLB (0.41) MEN1KMT2AMAP2K4MAPTSMN1; SMN2
SCHEMBL11584745 0.68 KMT2A (0.60) MCL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12598081 0.68 POLB (0.73) MEN1KMT2ASMN1; SMN2POLBMAPK1
SCHEMBL11171876 0.67 ALDH1A1 (0.54) MEN1KMT2APOLBCA12CA9
SCHEMBL12180894 0.67 LMNA (0.44) MCL1MEN1KMT2ATP53POLB
SCHEMBL11222668 0.66 ALDH1A1 (0.75) MCL1MEN1KMT2AMAPTTP53
SCHEMBL11165878 0.65 POLB (0.58) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2591509 0.65 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11177557 0.65 ALDH1A1 (0.58) MEN1KMT2ATP53PKMALDH1A1
SCHEMBL9335131 0.65 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2TP53

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