SCHEMBL11548423

SCHEMBL11548423

Nc1ccc([N+](=O)[O-])c(OCOc2cc(N)ccc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
RECQL P46063 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 5/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE7A Q13946 2/20 0.42
PRSS1 P07477 4/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL11545051 0.89 RECQL (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL11545840 0.88 TDP1 (0.55) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL11547457 0.88 TDP1 (0.55) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL6383543 0.86 MAPT (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL11212549 0.86 ALDH1A1 (0.56) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL29960239 0.85 TDP1 (0.51) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL16861180 0.83 TDP1 (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL16775013 0.83 MAPT (0.60) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL5512119 0.82 RECQL (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL11422374 0.81 CYP19A1 (0.50) TDP1TSHRRECQLL3MBTL1MAPT

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-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed