Nitrobenzene

Nitrobenzene

SCHEMBL27656746

O=C(CCl)Nc1nccs1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
NPC1 O15118 5/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 5/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
GAA P10253 4/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 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
SCHEMBL1358344 0.82 ACP1 (0.63) LMNANPC1SMN1; SMN2RAB9ATP53
Nitrobenzene SCHEMBL27694792 0.82 NPC1 (0.82) LMNANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL8609550 0.80 FFAR2 (0.67) LMNANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL24142977 0.78 MEN1 (0.61) LMNANPC1MAPTKDM4ESMN1; SMN2
Nitrobenzene SCHEMBL27591249 0.77 NPC1 (0.55) LMNANPC1MAPTKDM4ESMN1; SMN2
Nitrobenzene SCHEMBL27714762 0.76 MAPT (0.68) LMNANPC1MAPTKDM4ERAB9A
Nitrobenzene SCHEMBL27701041 0.75 SMN1; SMN2 (0.52) LMNANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL3191246 0.75 NPC1 (1.00) LMNANPC1MAPTKDM4ESMN1; SMN2
Nitrobenzene SCHEMBL27681966 0.74 NPC1 (0.49) LMNANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL28010665 0.74 MAPT (0.69) LMNANPC1MAPTKDM4ESMN1; 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
CN-100500665-C Triazolo-pyrimido-thioacetamide compounds, preparation method and uses UNIV ZHEJIANG TECHNOLOGY (CN) 2009-06-17 CN disclosed
CN-1962662-A Triazolo-pyrimido-thioacetamide compounds, preparation method and uses UNIV ZHEJIANG TECHNOLOGY (CN) 2007-05-16 CN disclosed