SCHEMBL7363893

SCHEMBL7363893

CC(C)(C)OC(=O)N(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PAX8 Q06710 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL8736767 0.82 MEN1 (0.43) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL504005 0.82 L3MBTL1 (0.55) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7200107 0.81 RAB9A (0.57) KDM4EBRD4MEN1KMT2ASMN1; SMN2
SCHEMBL27536175 0.79 MEN1 (0.41) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL8782785 0.79 MEN1 (0.41) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL2354804 0.79 L3MBTL1 (0.43) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL28012007 0.79 MTNR1A (0.45)
SCHEMBL3780747 0.78 MEN1 (0.40) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL14907285 0.78 MEN1 (0.40) BRD4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6182625 0.78 CRHBP (0.41) BRD4MEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117303991-A 4-trifluoromethyl substituted aromatic amine and synthesis method thereof 江苏笃行致远新材料科技有限公司 2023-12-29 CN disclosed
CN-113416139-B 4-fluorine substituted aryl amine compound and synthetic method thereof 江苏笃行致远新材料科技有限公司 2022-06-03 CN disclosed
CN-113416139-A 4-fluorine substituted aryl amine compound and synthetic method thereof 江苏笃行致远新材料科技有限公司 2021-09-21 CN disclosed
CN-102746239-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-10 CN disclosed
CN-101801935-B Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2014-12-03 CN disclosed
CN-102746239-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2012-10-24 CN disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed