SCHEMBL28378653

SCHEMBL28378653

Cc1cc(OC(N)=O)nc(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
KDM4E B2RXH2 8/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 9/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 6/20 0.38
HSD17B10 Q99714 4/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
UPP1 Q16831 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL29174283 0.93 RECQL (0.39) RECQLKDM4ETSHRALDH1A1TDP1
SCHEMBL4073630 0.76 RECQL (0.71) RECQLKDM4ETSHRALDH1A1TDP1
SCHEMBL26089966 0.75 MEN1 (0.42) RECQLKDM4ETSHRALDH1A1TDP1
SCHEMBL28374814 0.73 DPP4 (0.37) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL22890548 0.70 KDM4E (0.41) RECQLKDM4ETSHRALDH1A1HPGD
SCHEMBL29177255 0.69 KMT2A (0.37) KDM4ETSHRALDH1A1TDP1HPGD
SCHEMBL30370553 0.69 KDM4E (0.55) RECQLKDM4EALDH1A1TDP1HPGD
SCHEMBL553686 0.69 KDM4E (0.55) RECQLKDM4EALDH1A1TDP1HPGD
SCHEMBL1625883 0.69 KDM4E (0.46) RECQLKDM4ETSHRALDH1A1TDP1
SCHEMBL4066614 0.68 KDM4E (0.64) RECQLKDM4ETSHRALDH1A1TDP1

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-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed