SCHEMBL11613680

SCHEMBL11613680

O=C(O)CNc1ncco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
FFAR2 O15552 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
CES1 P23141 3/20 0.33
EGLN2 Q96KS0 1/20 0.33
FTO Q9C0B1 1/20 0.33
NAMPT P43490 1/20 0.33
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
FAAH O00519 3/20 0.33
NCEH1 Q6PIU2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL3070030 0.74
Hydrochloric Acid SCHEMBL14744482 0.74 KDM4E (0.33) EPHX2TP53RAB9AKDM4EFFAR2
SCHEMBL11278949 0.72
SCHEMBL4587820 0.71
SCHEMBL4722379 0.71
Acetic Acid SCHEMBL27503512 0.71 FFAR2 (0.40) EPHX2FFAR2LRRK2CSNK2A2CSNK2B
SCHEMBL20024590 0.70 NR4A2 (0.43) CES1EGLN2FTOFAAHNCEH1
SCHEMBL14679053 0.70 PRMT1 (0.49) NAMPT
SCHEMBL25076265 0.69 EPHX2 (0.37) EPHX2RAB9AFFAR2NAMPTFAAH
SCHEMBL18072257 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478425-B Synthetic method of aryloxy phenoxy propionate herbicide 安徽宁亿泰科技有限公司 2024-03-22 CN disclosed
CN-114478425-A Synthetic method of aryloxy phenoxy propionate herbicide 安徽宁亿泰科技有限公司 2022-05-13 CN disclosed
CN-86101382-A Prepare the method for β-Nei Xiananleikangshengsu and the application in medicine thereof 1986-09-03 CN disclosed
US-4088816-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-05-09 US disclosed