SCHEMBL8412940

SCHEMBL8412940

CN(C)C=C(C#N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
RAB9A P51151 6/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
CISD1 Q9NZ45 1/20 0.38
SLC16A3 O15427 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
SLC16A1 P53985 1/20 0.38
GPR35 Q9HC97 1/20 0.38
EGFR P00533 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
SCHEMBL20551511 1.00 CYP2C9 (0.55) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9449589 1.00 CYP2C9 (0.55) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL15689635 0.82 CYP2C9 (0.39) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL11192294 0.81 CYP2C9 (0.43) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL1579880 0.81 CYP2C9 (0.55) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL1579884 0.81 CYP2C9 (0.55) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL1579883 0.81 CYP2C9 (0.55) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL2786068 0.79 RAB9A (0.61) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL2786063 0.79 RAB9A (0.61) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL27172431 0.79 CYP2C9 (0.53) CYP2C9RAB9AKMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN claimed
CN-110180016-A A kind of quick hemostatic dressing and preparation method thereof 李现峰 2019-08-30 CN claimed
CN-112851588-B Micro-reaction system and method for continuously preparing 2-methyl-4-amino-5-cyanopyrimidine by using same 复旦大学 2023-04-21 CN disclosed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN disclosed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN disclosed
CN-112041320-A Compound capable of being used as tumor inhibitor and preparation method and application thereof 甘李药业股份有限公司 2020-12-04 CN disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
US-5939424-A ANTILIPEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
US-5241099-A PROCESS FOR THE PREPARATION OF AMINOMETHYLENE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed