SCHEMBL30003503

SCHEMBL30003503

NC1=C(Cl)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.62
▸ MAPT P10636 7/20 0.60
▸ TDP1 Q9NUW8 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ HPGD P15428 5/20 0.60
▸ MAPK1 P28482 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ ALOX15 P16050 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ TSHR P16473 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAOB P27338 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ STAT3 P40763 2/20 0.53
▸ AURKA O14965 2/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ S100A4 P26447 1/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ RECQL P46063 6/20 0.47

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
SCHEMBL23271826 1.00 MAOA (0.62) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL30003447 0.85 MAOA (0.72) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL10402000 0.85 MAOA (0.72) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL30004140 0.81 S100A4 (0.50) MAOAMAPTTDP1ALDH1A1S100A4
SCHEMBL23271678 0.81 S100A4 (0.50) MAOAMAPTTDP1ALDH1A1S100A4
SCHEMBL11157538 0.81 MAOA (0.65) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL23271854 0.79 CSNK2A2 (0.54) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL30003119 0.79 CSNK2A2 (0.54) MAOAMAPTTDP1ALDH1A1HPGD
SCHEMBL5174518 0.79 MAOA (0.62) MAOAMAPTTDP1ALDH1A1HPGD
Anthrarufin SCHEMBL187843 0.78 MAOA (1.00) MAOAMAPTTDP1ALDH1A1HPGD

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 — — CN disclosed
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