SCHEMBL9696190

SCHEMBL9696190

COc1ccc(-c2nnc(CN(C)C)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 5/20 0.51
▸ PTGES O14684 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PRMT1 Q99873 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL9694156 0.98 GPR84 (0.50) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11231246 0.82 GPR84 (0.54) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11238109 0.80 KDM4E (0.51) GPR84PTGESALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9695587 0.79 GPR84 (0.52) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11468338 0.79 PTGES (0.53) GPR84PTGESALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9695495 0.77 MAOB (0.53) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11472295 0.76 GPR84 (0.62) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11742743 0.76 ALDH1A1 (0.49) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL11477154 0.75 GPR84 (0.67) GPR84PTGESALDH1A1KDM4ELMNA
SCHEMBL21852751 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ELMNANPSR1TDP1

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
WO-1992002513-A1 HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 — — WO disclosed
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