SCHEMBL28039654

SCHEMBL28039654

CCOC(=O)C(C)=NNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPAS1 Q99814 1/20 0.50
EPHX2 P34913 2/20 0.47
KYAT1 Q16773 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.44

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
SCHEMBL508475 0.87 POLB (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL511435 0.87 POLB (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL511436 0.87 POLB (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL5843881 0.84 NPSR1 (0.58) MAPTALDH1A1MEN1KMT2AKYAT1
SCHEMBL23367273 0.84 POLB (0.53) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL14774163 0.84 POLB (0.53) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL21504092 0.83 KYAT1 (0.63) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL28276370 0.83 KYAT1 (0.63) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL6740055 0.82 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6740052 0.82 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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