SCHEMBL22556864

SCHEMBL22556864

COC(=O)c1ccccc1-n1cc([N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.50
PLAU P00749 3/20 0.50
ELANE P08246 3/20 0.50
MYC P01106 1/20 0.46
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28677098 0.86 MAPT (0.50) F2PLAUELANEALDH1A1GAA
SCHEMBL29099930 0.82 L3MBTL1 (0.43) F2PLAUELANEALDH1A1LMNA
SCHEMBL22557510 0.79 MYC (0.50) MYCALDH1A1LMNAGAACYP2C19
SCHEMBL22632956 0.79 MEN1 (0.56) F2PLAUELANEALDH1A1LMNA
SCHEMBL22633304 0.76 F2 (0.55) F2PLAUELANEALDH1A1LMNA
SCHEMBL25011687 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL21050103 0.76 ALDH1A1 (0.50) F2PLAUELANEALDH1A1LMNA
SCHEMBL26696901 0.75 RXFP1 (0.43) F2PLAUELANEALDH1A1LMNA
SCHEMBL28542620 0.74 MYC (0.46) F2PLAUELANEMYCALDH1A1
SCHEMBL26696807 0.74 F2 (0.46) F2PLAUELANEALDH1A1LMNA

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-113710664-B JAK1 selective kinase inhibitors 迪哲(江苏)医药股份有限公司 2024-01-26 CN disclosed
EP-3956322-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-02-23 EP disclosed
WO-2020211839-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-10-22 WO disclosed