SCHEMBL28353064

SCHEMBL28353064

NC(=O)c1c(-c2ccccc2)cc(C(=O)O)c(C(=O)O)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.50
PTPN1 P18031 4/20 0.45
HNF4A P41235 3/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PTPN6 P29350 2/20 0.41
FOLH1 Q04609 1/20 0.41
PTPN2 P17706 1/20 0.41
IKBKB O14920 3/20 0.41
DHODH Q02127 2/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CHUK O15111 1/20 0.40
IKBKE Q14164 1/20 0.40
PKMYT1 Q99640 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL27639675 0.97 BCAT2 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
SCHEMBL28475228 0.97 BCAT2 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
Benzene SCHEMBL27914219 0.97 BCAT2 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
SCHEMBL27677771 0.89 BCAT2 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
Diphenylether SCHEMBL27677831 0.88 PARP10 (0.45) BCAT2PTPN1AKR1C3DHODHMEN1
SCHEMBL2783777 0.86 BCAT2 (0.58) BCAT2PTPN1IKBKBDHODHCHUK
Benzene SCHEMBL3625753 0.85 PTPN1 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
SCHEMBL29478249 0.85 PTPN1 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
SCHEMBL49835 0.85 PTPN1 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2
SCHEMBL28328812 0.85 BCAT2 (0.50) BCAT2PTPN1HNF4AAKR1C3AKR1C2

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-118599111-A Biphenyl imine aryl polytriazole as well as preparation method and application thereof 东华大学 2024-09-06 CN claimed
CN-118599111-A Biphenyl imine aryl polytriazole as well as preparation method and application thereof 东华大学 2024-09-06 CN disclosed
CN-110591063-B Modified polyethylene naphthalate containing imide structure and preparation method thereof 沈阳建筑大学 2022-06-07 CN disclosed
CN-114230540-A Method for synthesizing alpha-BPDA 西安爱德克美新材料有限公司 2022-03-25 CN disclosed
CN-110591063-A Modified polyethylene naphthalate containing imide structure and preparation method thereof 沈阳建筑大学 2019-12-20 CN disclosed