SCHEMBL11200758

SCHEMBL11200758

O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
RAB9A P51151 2/20 0.60
ALOX5 P09917 1/20 0.60
KMT2A Q03164 4/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.55
NPC1 O15118 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
MEN1 O00255 3/20 0.53
UBE2B P63146 1/20 0.50
BCHE P06276 1/20 0.49

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
SCHEMBL8358751 0.94 KMT2A (0.67) ALDH1A1RAB9AALOX5KMT2ASLC6A2
SCHEMBL523154 0.91 KMT2A (0.67) ALDH1A1RAB9AALOX5KMT2ASLC6A2
SCHEMBL11116815 0.85 MEN1 (0.72) ALDH1A1RAB9AKMT2AHTTLMNA
SCHEMBL11684706 0.84 ALDH1A1 (0.63) ALDH1A1RAB9AALOX5KMT2AHTT
SCHEMBL9385826 0.84 ALDH1A1 (0.66) ALDH1A1RAB9AKMT2AHTTMEN1
SCHEMBL9385816 0.84 ALDH1A1 (0.66) ALDH1A1RAB9AKMT2AHTTMEN1
SCHEMBL11005763 0.83 TDP1 (0.85) ALDH1A1RAB9AKMT2ASLC6A2SLC6A3
SCHEMBL6771599 0.83 ALDH1A1 (0.64) ALDH1A1RAB9AKMT2AHTTMEN1
SCHEMBL13401406 0.83 ALDH1A1 (0.64) ALDH1A1RAB9AKMT2AHTTMEN1
SCHEMBL9385414 0.83 ALDH1A1 (0.64) ALDH1A1RAB9AKMT2AHTTMEN1

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-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US claimed