SCHEMBL11577880

SCHEMBL11577880

O=C(Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-])Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL19713194 0.85 GPR35 (0.50) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL6543923 0.82 PDGFRB (0.50) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL1653791 0.82 GPR35 (0.47) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL27601624 0.82 GPR35 (0.47) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL1625689 0.82 GPR35 (0.47) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL18258894 0.81 GPR35 (0.46) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL19713198 0.81 GPR35 (0.46) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL19713196 0.80 GPR35 (0.45) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL48359 0.80 GPR35 (0.55) GPR35TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL3206927 0.80 GPR35 (0.55) GPR35TSHRL3MBTL1ALDH1A1NPC1

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-4113282-A TETRANITRODIPHENYL ACETIC ACID DERIVATIVES THE MEAD CORPORATION (US) 1978-09-12 US disclosed