SCHEMBL28494571

SCHEMBL28494571

COC(=O)Cc1cn(Cc2ccccc2)c(=O)cc1I

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
PLA2G2A P14555 3/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TSHR P16473 2/20 0.41
P2RX7 Q99572 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ICMT O60725 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL28494973 0.82 MAPK14 (0.45) BRD4BRD2BRD3BRDTPLA2G2A
SCHEMBL28486486 0.74 HPGD (0.53) BRD4BRD2BRD3BRDTP2RX7
SCHEMBL3181686 0.74 BRD4 (0.56) BRD4BRD2BRD3BRDTL3MBTL1
SCHEMBL28487784 0.72 MAPK14 (0.44) BRD4BRD2BRD3BRDTP2RX7
SCHEMBL28496256 0.71 MAPK14 (0.43) BRD4BRD2BRD3BRDTP2RX7
SCHEMBL1641959 0.70 KDM4E (0.48) BRD4BRD2BRD3BRDTTSHR
SCHEMBL3623804 0.68 CYP1A2 (0.54) TSHRL3MBTL1
SCHEMBL30776972 0.68 CYP1A2 (0.54) TSHRL3MBTL1
SCHEMBL11316074 0.68 BRD4 (0.70) BRD4BRD2BRD3BRDTP2RX7
SCHEMBL21190075 0.68 GAA (0.51) TSHRL3MBTL1

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
CN-111925320-A Method for efficiently synthesizing polysubstituted 2-pyridone compound 武汉大学 2020-11-13 CN disclosed