SCHEMBL29154640

SCHEMBL29154640

Cc1nc2cc(Br)ccc2c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.63
▸ HDAC1 Q13547 3/20 0.59
▸ HDAC8 Q9BY41 3/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ APP P05067 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ GRM1 Q13255 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALOX12 P18054 1/20 0.56

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
SCHEMBL29110406 0.87 ESR1 (0.58) HSD17B10HDAC1HDAC8HDAC6HDAC2
SCHEMBL30726096 0.86 HSD17B10 (0.75) HSD17B10POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL29154650 0.86 HSD17B10 (0.75) HSD17B10POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL30726093 0.85 MAPK1 (0.70) HSD17B10POLBALDH1A1SMN1; SMN2GRM1
SCHEMBL9336504 0.85 MAPK1 (0.70) HSD17B10POLBALDH1A1SMN1; SMN2GRM1
SCHEMBL1682746 0.83 MAPK1 (0.75) HSD17B10POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL30122631 0.83 MAPK1 (0.75) HSD17B10POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL7171020 0.80 POLB (0.67) HSD17B10HDAC1HDAC8HDAC6HDAC2
SCHEMBL22720129 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL338139 0.79 ALDH1A1 (0.68) HSD17B10ALDH1A1SMN1; SMN2MAPK1

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-117510415-A Synthesis method of quinazolinone compound 中国人民解放军军事科学院防化研究院 2024-02-06 — — CN disclosed
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