4-Nitrotoluene

4-Nitrotoluene

SCHEMBL2484690

Cc1ccc([N+](=O)[O-])cc1.Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 1.00
HSD17B10 Q99714 2/20 1.00
ALDH1A1 P00352 5/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
RECQL P46063 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
BCHE P06276 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.53
CES1 P23141 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CXCR5 P32302 1/20 0.52
APLNR P35414 1/20 0.52
RAB9A P51151 1/20 0.52
CCR6 P51684 1/20 0.52
GFER P55789 1/20 0.52

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
4-Nitrotoluene SCHEMBL73252 1.00 ACHE (1.00) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL28533556 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL28159293 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL28284448 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL9402408 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL9734611 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL6751959 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL29272601 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL28481150 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1
4-Nitrotoluene SCHEMBL28124015 0.97 ACHE (0.95) ACHEHSD17B10ALDH1A1TSHRTDP1

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
US-20110224463-A1 MODULAR REACTOR AUROTEC GMBH (AT) 2011-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224463-A1 MODULAR REACTOR IMMT, POLRMT, RRS1 ACHE 430/4885HSD17B10 895/4885ALDH1A1 2166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.