SCHEMBL11548711

SCHEMBL11548711

COc1cc(N)c(OCCCCOc2cc([N+](=O)[O-])c(OC)cc2N)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
PRSS1 P07477 4/20 0.47
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11548553 0.95 ALDH1A1 (0.51) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL11548343 0.89 TDP1 (0.49) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL6815710 0.87 HTT (0.58) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL4799531 0.87 HTT (0.58) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL11581876 0.85 MAPT (0.49) ALDH1A1MAPTLMNAMAPK1PRSS1
SCHEMBL11596026 0.84 ALDH1A1 (0.48) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL10940683 0.84 MAPT (0.52) ALDH1A1MAPTLMNAMAPK1PRSS1
SCHEMBL13832435 0.81 KDM4E (0.52) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL11555366 0.81 HTT (0.55) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL6375580 0.81 HTT (0.55) TDP1ALDH1A1MAPTLMNAMAPK1

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