SCHEMBL10333474

SCHEMBL10333474

COc1ccc2cc3c(Cl)n[nH]c3nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ GFER P55789 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ HPGDS O60760 4/20 0.39
▸ MEN1 O00255 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
SCHEMBL2090637 0.84 NCF1 (0.47) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL18571753 0.73 ALDH1A1 (0.66) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL10333750 0.72 PDE3B (0.54) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL6033527 0.71 ALDH1A1 (0.64) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL6360732 0.71 DYRK1A (0.51) ALDH1A1GFERKDM4EKMT2AHPGD
SCHEMBL4371038 0.70 ALDH1A1 (0.62) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL18572019 0.70 ALDH1A1 (0.62) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL12068392 0.69 ALDH1A1 (0.57) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL622376 0.69 ALDH1A1 (0.56) ALDH1A1GFERKDM4EKMT2AL3MBTL1
SCHEMBL10334199 0.69 NCF1 (0.47) ALDH1A1KDM4EKMT2ANPC1RAB9A

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-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US disclosed
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