SCHEMBL5133771

SCHEMBL5133771

O=C(Nc1ccc2cn[nH]c2c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
MEN1 O00255 5/20 0.65
PKM P14618 1/20 0.64
MAPT P10636 3/20 0.60
POLB P06746 1/20 0.60
BLM P54132 1/20 0.60
MAP4K4 O95819 2/20 0.59
CLK2 P49760 2/20 0.59
DYRK1A Q13627 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
SRPK1 Q96SB4 1/20 0.59
HPGD P15428 1/20 0.58
THRA P10827 1/20 0.57
MAOB P27338 2/20 0.57
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
NOS1 P29475 1/20 0.56

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
SCHEMBL2924973 0.82 MAP4K4 (0.60) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL3378320 0.81 RAB9A (0.80) NPC1RAB9AMAPTMAP4K4CLK2
SCHEMBL29429758 0.81 RAB9A (0.80) NPC1RAB9AMAPTMAP4K4CLK2
SCHEMBL2925388 0.81 MAOB (0.62) KMT2ANPC1RAB9AMEN1MAPT
Hydrochloric Acid SCHEMBL7368705 0.80 RAB9A (0.78) NPC1RAB9AMAPTMAP4K4CLK2
SCHEMBL15652669 0.79 MAP4K4 (0.61) NPC1RAB9AMAP4K4CLK2DYRK1A
SCHEMBL10943066 0.79 KMT2A (0.94) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL14022343 0.78 RAB9A (0.67) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL271133 0.78 RAB9A (0.70) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2927325 0.77 MAP4K4 (0.69) NPC1RAB9AMAPTMAP4K4CLK2

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-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed