SCHEMBL28209709

SCHEMBL28209709

Nc1ccc(Oc2ccccc2C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
PARP10 Q53GL7 3/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
NLRP3 Q96P20 1/20 0.40
F10 P00742 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
SCHEMBL11508105 0.89 CTNNB1 (0.62) CTNNB1SMN1; SMN2CES2CES1MEN1
Benzil SCHEMBL6674970 0.86 CES2 (0.58) CTNNB1CES2CES1PARP10
SCHEMBL3455047 0.86 CTNNB1 (0.56) CTNNB1NCOA1NCOA3MAOASMN1; SMN2
SCHEMBL27546791 0.86 CES2 (0.56) CTNNB1SMN1; SMN2CES2CES1PARP10
SCHEMBL7125583 0.83 CTNNB1 (0.61) CTNNB1NCOA1NCOA3MAOASMN1; SMN2
SCHEMBL8861863 0.83 CTNNB1 (0.49) CTNNB1SMN1; SMN2CES2CES1PARP10
SCHEMBL4197049 0.83 CES2 (0.58) CTNNB1SMN1; SMN2CES2CES1KMT2A
Hydrochloric Acid SCHEMBL6779081 0.82 CTNNB1 (0.59) CTNNB1NCOA1NCOA3MAOASMN1; SMN2
SCHEMBL9664968 0.82 CTNNB1 (0.47) CTNNB1SMN1; SMN2CES2CES1PARP10
SCHEMBL28556876 0.82 CTNNB1 (0.58) CTNNB1NCOA1NCOA3MAOASMN1; SMN2

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-107903417-B Preparation and application of quinoxaline group bridged side chain type sulfonated polyimide 南京黑泰催化剂有限公司 2020-06-26 CN claimed
CN-107903417-A The preparation and its application of the side chain type sulfonated polyimides of quinoxaline group bridge joint 黑泰(上海)材料科技有限公司 2018-04-13 CN claimed
CN-107903417-B Preparation and application of quinoxaline group bridged side chain type sulfonated polyimide 南京黑泰催化剂有限公司 2020-06-26 CN disclosed