SCHEMBL7824979

SCHEMBL7824979

CC(O)C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
HSPB1 P04792 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GPR35 Q9HC97 1/20 0.46
PDK1 Q15118 1/20 0.46
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL27744454 0.87 MEN1 (0.49) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL10616262 0.87 MEN1 (0.49) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL8141315 0.85 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11577835 0.85 TTR (0.46) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL10071375 0.84 TTR (0.50) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL823705 0.81 RECQL (0.56) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL30318004 0.81 RECQL (0.56) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL6129748 0.81 ALDH1A1 (0.46) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL427368 0.81 ALDH1A1 (0.55) TTRMEN1KMT2AMAPTHSPB1
SCHEMBL1220299 0.81 ALDH1A1 (0.55) TTRMEN1KMT2AMAPTHSPB1

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-1097918-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED-2-NITRO-FLUOROBENZENES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-09 EP disclosed