SCHEMBL15323697

SCHEMBL15323697

COc1ccc(N=C(C)c2cccc([N+](=O)[O-])c2)cc1.[Ir]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL15323693 1.00 MAPT (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9423124 0.85 ALDH1A1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9423121 0.85 ALDH1A1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15322852 0.84 NOS1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15322849 0.84 NOS1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15073421 0.82 NOS3 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29201792 0.77 KDM4E (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4470153 0.77 MAPT (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12350151 0.77 CES2 (0.71) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31067505 0.77 MAPT (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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-2836496-A1 CATALYST COMPOUNDS The University of Liverpool (GB) 2015-02-18 EP disclosed
WO-2013153408-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO disclosed