SCHEMBL21811095

SCHEMBL21811095

NCC(=O)OC(=O)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
P4HTM Q9NXG6 8/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL157288 0.79 KDM4E (1.00) KDM4EALDH1A1L3MBTL1MAPK1P4HTM
Hydrochloric Acid SCHEMBL5934153 0.78 KDM4E (0.96) KDM4EALDH1A1L3MBTL1MAPK1P4HTM
SCHEMBL3901156 0.78 KDM4E (0.96) KDM4EALDH1A1L3MBTL1MAPK1P4HTM
Lithium Ion SCHEMBL3901152 0.76 KDM4E (0.92) KDM4EALDH1A1L3MBTL1MAPK1P4HTM
SCHEMBL15932170 0.73 KDM4E (0.56) KDM4EALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL12158841 0.73 ALDH1A1 (0.60) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL21410042 0.72 P4HTM (0.39) MAPK1P4HTMCYP1A2CYP3A4
SCHEMBL14153506 0.71 ALDH1A1 (0.49) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL109364 0.70 MAPK1 (0.65) KDM4EALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL30978460 0.70 MAPK1 (0.65) KDM4EALDH1A1L3MBTL1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054788-A1 IMIDAZOPYRIDINONE COMPOUND キッセイ薬品工業株式会社 2020-03-19 WO disclosed