SCHEMBL10754644

SCHEMBL10754644

COc1ccc([N+](=O)[O-])c(C=C2C(=O)NC(=O)N2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ MAPT P10636 10/20 0.47
▸ KDM4E B2RXH2 9/20 0.47
▸ HPGD P15428 3/20 0.42
▸ PLIN1 O60240 2/20 0.42
▸ PLIN5 Q00G26 2/20 0.42
▸ ABHD5 Q8WTS1 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ KMT2A Q03164 7/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 6/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ POLB P06746 4/20 0.39
▸ THRB P10828 3/20 0.39
▸ HSP90AA1 P07900 2/20 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
SCHEMBL10754642 1.00 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10753480 0.84 TSHR (0.44) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10753482 0.84 TSHR (0.44) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10657656 0.78 PDE3B (0.42) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10657645 0.78 PDE3B (0.42) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10758207 0.78 POLB (0.66) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL10758203 0.78 POLB (0.66) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL10657105 0.77 FFAR1 (0.43) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10658718 0.77 PDE3B (0.46) ALDH1A1MAPTKDM4EHPGDPLIN1
SCHEMBL10658721 0.77 PDE3B (0.46) ALDH1A1MAPTKDM4EHPGDPLIN1

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-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 — — US disclosed
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