SCHEMBL28533872

SCHEMBL28533872

NC(=O)C(=O)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
METAP2 P50579 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
MIF P14174 1/20 0.40

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
SCHEMBL1802165 0.85 CES2 (0.50) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL700922 0.81 METAP2 (0.58) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL27675448 0.81 METAP2 (0.58) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL31058978 0.79 MEN1 (0.47) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL29046760 0.79 METAP2 (0.56) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL4880477 0.79 METAP2 (0.56) NPC1RAB9AMETAP2MEN1KMT2A
Hydrochloric Acid SCHEMBL4383251 0.79 METAP2 (0.56) NPC1RAB9AMETAP2MEN1KMT2A
Hydrochloric Acid SCHEMBL4100040 0.79 METAP2 (0.56) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL5349768 0.79 MEN1 (0.47) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL31162480 0.78 NPC1 (0.42) NPC1RAB9AMETAP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698407-B Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2022-11-29 CN claimed
CN-113698407-A Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2021-11-26 CN claimed
CN-110183379-B Synthesis method and application of copper-catalyzed one-pot method for preparing C-4-sulfonyl substituted isoquinolone compounds 青岛科技大学 2021-02-05 CN claimed
CN-113698407-B Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2022-11-29 CN disclosed
CN-113698407-A Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2021-11-26 CN disclosed