Nitrobenzene

Nitrobenzene

SCHEMBL9564264

O=[N+]([O-])c1ccccc1.[NH]CC12CCCN1CCC2

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.41
SIGMAR1 Q99720 4/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9564299 0.84 RAB9A (0.44) LMNAALDH1A1RAB9ATHRBTP53
SCHEMBL8553021 0.73 LMNA (0.52) LMNAALDH1A1RAB9ATHRBTP53
SCHEMBL9564315 0.73 CHRNA7 (0.33)
Nitrobenzene SCHEMBL8808923 0.71 ALDH1A1 (0.84) LMNAALDH1A1TP53MAPTPOLB
Nitrobenzene SCHEMBL16892591 0.71 ALDH1A1 (0.84) LMNAALDH1A1TP53MAPTPOLB
Nitrobenzene SCHEMBL28721943 0.71 ALDH1A1 (0.84) LMNAALDH1A1TP53MAPTPOLB
SCHEMBL8967906 0.70 ICMT (0.46) LMNAALDH1A1RAB9ATHRBMAPT
SCHEMBL8967712 0.70 MAPT (0.47) LMNAALDH1A1RAB9ATHRBSIGMAR1
Nitrobenzene SCHEMBL2358164 0.69 ALDH1A1 (1.00) LMNAALDH1A1TP53POLBMEN1
Nitrobenzene SCHEMBL1330714 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed