SCHEMBL28897809

SCHEMBL28897809

CNc1ncc(N=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
GALR2 O43603 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.38
AHR P35869 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 3/20 0.33
HCAR3 P49019 1/20 0.33
JAK2 O60674 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSF1 Q00613 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
SCHEMBL2267794 0.78 POLB (0.51) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL6634074 0.78 ALDH1A1 (0.57) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL30807120 0.78 ALDH1A1 (0.57) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL6832051 0.77 POLB (0.50) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL14748024 0.77 POLB (0.50) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL790395 0.77 POLB (0.50) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL15828585 0.74 LMNA (0.47) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL117981 0.73 FGFR4 (0.51) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL30989701 0.73 VCAM1 (0.47) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL31315323 0.73 FGFR4 (0.51) POLBLMNAGALR2SMN1; SMN2ALDH1A1

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-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 CN disclosed