SCHEMBL28033901

SCHEMBL28033901

Brc1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 1/20 0.33
CYP19A1 P11511 1/20 0.32
DCLK1 O15075 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
CSF1R P07333 1/20 0.32
FER P16591 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL5344839 0.78 CYP1A2 (0.34) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2448169 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1SMN1; SMN2CYP2A6
SCHEMBL2958548 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1SMN1; SMN2CYP2A6
SCHEMBL5047733 0.75 ALDH1A1 (0.47) ALDH1A1MAPK1TDP1NPC1RAB9A
SCHEMBL2922472 0.73 ALDH1A1 (0.35) ALDH1A1NPC1CYP2A6
SCHEMBL358614 0.73 CYP1A2 (0.48) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL781962 0.73 LMNA (0.38) ALDH1A1TDP1NPC1RAB9ANFKB1
SCHEMBL9316232 0.73 HSD17B10 (0.48) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL7058842 0.73 BCL2L1 (0.48) ALDH1A1TDP1NPC1RAB9A
SCHEMBL28185184 0.73 ALDH1A1 (0.35) ALDH1A1

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-107353233-B Method for catalytic synthesis of asymmetric azoxybenzene compound 温州大学 2023-02-24 CN disclosed
CN-108689890-B Method for synthesizing asymmetric azoxybenzene compound 温州大学 2020-11-17 CN disclosed
CN-108689890-A A kind of synthetic method of asymmetric azobenzene oxide compound 温州大学 2018-10-23 CN disclosed
CN-107353233-A A kind of method for catalyzing and synthesizing asymmetric oxidation azobenzene compound 温州大学 2017-11-17 CN disclosed
CN-104926628-A Method for synthesizing benzil derivative UNIV ZHEJIANG TECHNOLOGY 2015-09-23 CN disclosed