SCHEMBL28039634

SCHEMBL28039634

CCN(/N=C\C(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 3/20 0.34
DRD1 P21728 1/20 0.34
HTT P42858 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL28039646 0.81 MT-CO2 (0.40) MAPTKDM4ERAB9ANPC1GAA
SCHEMBL28039651 0.72 POLB (0.43) L3MBTL1KDM4EHDAC3HDAC1HDAC2
SCHEMBL28276368 0.71 MAPT (0.40) MAPK1MAPTKDM4ERAB9ANPC1
SCHEMBL4556628 0.69 ALOX15 (0.40) MAPK1PKML3MBTL1MAPTKDM4E
SCHEMBL6305678 0.67 ALDH1A1 (0.47) MAPK1PKML3MBTL1MAPTALDH1A1
SCHEMBL4461545 0.64 ALDH1A1 (0.43) MAPK1MAPTALDH1A1HTTAPOBEC3A
SCHEMBL31255675 0.63 KDM4E (0.35) MAPK1PKML3MBTL1MAPTKDM4E
SCHEMBL4332370 0.63 ALDH1A1 (0.52) MAPK1MAPTKDM4EALDH1A1HTT
SCHEMBL5018993 0.63 L3MBTL1 (0.49) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL19946333 0.63 FAAH (0.47) PKML3MBTL1ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085515-B Hydrazide kind compound as coagulation factor xa inhibitors 华北制药股份有限公司 2019-02-01 CN disclosed
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed