SCHEMBL11577264

SCHEMBL11577264

C=CCc1ccccc1N(O)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 2/20 0.48
EGFR P00533 2/20 0.48
NSD2 O96028 1/20 0.48
KDM4E B2RXH2 3/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ELANE P08246 2/20 0.43
AKR1B1 P15121 1/20 0.38
MAOA P21397 2/20 0.38
RAB9A P51151 2/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6550296 0.86 L3MBTL1 (0.50) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
Hydrogen Peroxide SCHEMBL28190762 0.81 GABRA1 (0.51) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL175397 0.81 GABRA1 (0.50) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
Anthraquinone SCHEMBL27441032 0.81 GABRA1 (0.50) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL38652483 0.81 GABRA1 (0.50) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28395338 0.79 GABRA1 (0.49) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
Water SCHEMBL28566474 0.79 GABRA1 (0.49) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
Acetic Acid SCHEMBL11829308 0.79 ELANE (0.48) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7122665 0.77 MEN1 (0.54) PABPC1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10642231 0.75 ELANE (0.53) ALDH1A1LMNAGABRA1GABRB2ELANE

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-4141682-A Transfer dyeing with 1-hydroxy-2-alkyl-4-anilino anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 US disclosed