SCHEMBL10411921

SCHEMBL10411921

Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP19A1 P11511 5/20 0.47
▸ MGMT P16455 1/20 0.47
▸ HPD P32754 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL10730419 0.90 MAPT (0.54) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL647866 0.88 TDP1 (0.56) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL14228268 0.83 MGMT (0.48) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL15013285 0.82 MAPT (0.55) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL3614237 0.81 MAPT (0.49) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL7882348 0.81 MAPT (0.49) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL27896267 0.79 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1CYP19A1
SCHEMBL1162221 0.79 PTGER1 (0.54) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL25726044 0.78 MAPT (0.49) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL7881426 0.78 MAPT (0.46) MAPTMEN1KMT2ATDP1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925853-A Antiinflammatory, antiallergens, antiulcer agents BEECHAM GROUP PLC (GB) 1990-05-15 — — US disclosed
EP-0284686-A1 Condensed triazoles, their preparation and their use as medicines BEECHAM GROUP PLC (GB) 1988-10-05 — — EP disclosed
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 — — EP disclosed
Send feedback