SCHEMBL28560942

SCHEMBL28560942

Cc1cccc(N=Nc2ccc3ccccc3c2O)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.63
▸ L3MBTL1 Q9Y468 5/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CTRB1 P17538 1/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ MPL P40238 1/20 0.48
▸ CTRC Q99895 1/20 0.48

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
SCHEMBL8971645 0.83 L3MBTL1 (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL8971639 0.83 L3MBTL1 (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL387565 0.83 KMT2A (0.73) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL30011390 0.82 THRB (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL965822 0.82 THRB (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL965824 0.82 THRB (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL8426399 0.82 THRB (0.64) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL7777944 0.82 THRB (0.64) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL10781209 0.82 L3MBTL1 (0.63) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL1997039 0.79 THRB (0.61) KMT2AL3MBTL1MEN1NPC1RAB9A

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 — — CN disclosed
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