SCHEMBL30024515

SCHEMBL30024515

CC(=O)c1ccc(CBr)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HCAR3 P49019 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ P4HA1 P13674 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16213698 1.00 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL403213 0.84 P4HA1 (0.55) L3MBTL1MAPTHPGDHCAR3P4HA1
SCHEMBL17682295 0.83 MAPT (0.42) KMT2AL3MBTL1GAAMAPTHPGD
SCHEMBL5175746 0.82 NNMT (0.55) L3MBTL1SMN1; SMN2
SCHEMBL480126 0.82 MAPK1 (0.59) KMT2AL3MBTL1TSHRMAPTRAB9A
SCHEMBL14023317 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL2749675 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL31098145 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL17845753 0.80 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL12639886 0.80 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR

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
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 — — CN disclosed
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