SCHEMBL5862097

SCHEMBL5862097

NC(=O)C(Cc1ccccn1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.60
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58
▸ PTPRA P18433 1/20 0.57
▸ FDPS P14324 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPY1R P25929 1/20 0.42

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
SCHEMBL7829956 0.87 PTPRA (0.65) EPHX1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7829954 0.87 PTPRA (0.65) EPHX1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27761201 0.83 PTPRA (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27628033 0.83 PTPRA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25214176 0.80 PTPRA (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2187235 0.80 PTPRA (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5862039 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14796604 0.78 PTPRA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10250742 0.78 PTPRA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5270954 0.78 PTPRA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-113214104-B Method for synthesizing aromatic acetamide 浙江工业大学 2022-05-24 — — CN disclosed
CN-113214104-A Method for synthesizing aromatic acetamide 浙江工业大学 2021-08-06 — — CN disclosed
CN-101151018-A Ophthalmic compositions and methods of use thereof LAB THEA (FR) 2008-03-26 — — CN disclosed
US-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 — — US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 — — US disclosed
Send feedback