SCHEMBL9505333

SCHEMBL9505333

CC(C)(OC(C)(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 3/20 0.49
GPR35 Q9HC97 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
CYP3A4 P08684 1/20 0.44
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSPB1 P04792 3/20 0.42

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
SCHEMBL446475 0.84 TDP1 (0.55) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL3656487 0.81 TDP1 (0.52) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL17704246 0.81 TDP1 (0.52) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL18925062 0.78 TDP1 (0.49) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL11833322 0.77 TDP1 (0.50) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL4747577 0.77 TDP1 (0.55) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL8147133 0.77 ALDH1A1 (0.58) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL3592382 0.76 TDP1 (0.63) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL18924913 0.76 TDP1 (0.46) TDP1POLBALDH1A1MAPK1GPR35
SCHEMBL14211045 0.76 TDP1 (0.49) TDP1POLBALDH1A1MAPK1GPR35

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-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed