SCHEMBL3800547

SCHEMBL3800547

O=C(O)C(=O)Nc1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 3/20 0.51
PKM P14618 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FLT3 P36888 1/20 0.49
MAOB P27338 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 2/20 0.48
F12 P00748 1/20 0.48
PTPRC P08575 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPRB P23467 1/20 0.47
PTPRE P23469 1/20 0.47
PTPN6 P29350 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
Hydrochloric Acid SCHEMBL3794175 0.98 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL10823736 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1059656 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL13652067 0.81 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1826293 0.81 FLT3 (0.55) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1066448 0.80 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL11388357 0.79 KDM4E (0.60) NPC1RAB9ASMN1; SMN2TP53MAOB
SCHEMBL11396751 0.79 MAOB (0.71) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL5613922 0.78 HPGD (0.53) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL3871617 0.78 TAS1R3 (0.49) NPC1RAB9ASMN1; SMN2TP53PKM

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-2166849-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154026-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed