SCHEMBL28158271

SCHEMBL28158271

Cc1cccc(F)c1[CH]Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
NFE2L2 Q16236 2/20 0.39
KCNH2 Q12809 4/20 0.36
MAT2A P31153 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IKBKB O14920 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL31227003 0.77 ACHE (0.48) ACHENFE2L2KCNH2MAT2ATSHR
SCHEMBL1663012 0.77 ACHE (0.48) ACHENFE2L2KCNH2MAT2ATSHR
SCHEMBL12091400 0.77 ACHE (0.48) ACHENFE2L2KCNH2MAT2ACYP1A2
SCHEMBL12656511 0.76 ACHE (0.46) ACHENFE2L2KCNH2MAT2ACYP1A2
SCHEMBL20124976 0.74 ACHE (0.44) ACHENFE2L2KCNH2MAT2AALDH1A1
SCHEMBL19900073 0.72 ACHE (0.43) ACHENFE2L2ALDH1A1SMN1; SMN2TDP1
SCHEMBL19779833 0.72 ACHE (0.43) ACHENFE2L2ALDH1A1SMN1; SMN2TDP1
SCHEMBL15506997 0.71 ACHE (0.41) ACHENFE2L2KCNH2MAT2AALDH1A1
SCHEMBL21883711 0.70 ACHE (0.40) ACHENFE2L2KCNH2MAT2AALDH1A1
SCHEMBL11413943 0.69 ACHE (0.43) ACHENFE2L2CYP1A2ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473444-A Benzamide compounds and its purposes as herbicide 巴斯夫欧洲公司 2018-08-31 CN disclosed
CN-107311921-A Aryl or heteroaryl-substituted compound EPIZYME股份有限公司 2017-11-03 CN disclosed
CN-104080769-B Aryl or heteroaryl substituted benzene compounds EPIZYME股份有限公司 2017-06-20 CN disclosed