SCHEMBL28979388

SCHEMBL28979388

CC(=O)Nc1ccccc1C(=O)OC(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ BDKRB1 P46663 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ STAT1 P42224 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL29071476 0.79 KDM4E (0.71) ALDH1A1CYP2C19MAPTCYP2C9HPGD
SCHEMBL1640485 0.76 KMT2A (0.71) ALDH1A1CYP2C19MAPTHPGDHTT
SCHEMBL29655205 0.76 KMT2A (0.71) ALDH1A1CYP2C19MAPTHPGDHTT
SCHEMBL10548510 0.75 ALDH1A1 (0.56) ALDH1A1CYP2C19MAPTCYP2C9HPGD
SCHEMBL27589476 0.75 ALDH1A1 (0.49) ALDH1A1CYP2C19MAPTCYP2C9HPGD
SCHEMBL19742794 0.75 TP53 (0.56) ALDH1A1CYP2C19POLBLMNAGAA
SCHEMBL15114720 0.75 KDM4E (0.66) ALDH1A1CYP2C19MAPTCYP2C9HPGD
SCHEMBL24074064 0.75 POLB (0.71) ALDH1A1HTTPOLBGAARAB9A
SCHEMBL30142859 0.75 POLB (0.71) ALDH1A1HTTPOLBGAARAB9A
SCHEMBL11665942 0.74 KMT2A (0.65) ALDH1A1CYP2C19MAPTCYP2C9HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111329787-B Copolymer 宝丽化学工业有限公司 2023-03-31 — — CN disclosed
CN-111329788-B Copolymer 宝丽化学工业有限公司 2023-03-31 — — CN disclosed
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