SCHEMBL28625929

SCHEMBL28625929

CNC(Cc1ccccn1)C(=O)O.[HH].[HH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
FDPS P14324 1/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL29831780 0.98 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13972048 0.98 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL3472396 0.98 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL10065593 0.98 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
Bromide SCHEMBL17476046 0.97 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
Bromide SCHEMBL17476045 0.97 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL15075315 0.86 PTPRA (0.53) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL17642097 0.86 PTPRA (0.53) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13957292 0.83 PTPRA (0.58) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL14949116 0.83 PTPRA (0.50) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
CN-108912111-B Compounds and pharmaceutical compositions 赛克里翁治疗有限公司 2021-09-14 CN disclosed