SCHEMBL28873304

SCHEMBL28873304

COC(=O)c1ccc(-c2ccccc2)cc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
EGFR P00533 1/20 0.51
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A3 Q01959 5/20 0.47
HNF4A P41235 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
AXL P30530 1/20 0.46
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.45
PLA2G2A P14555 1/20 0.45
TSHR P16473 2/20 0.44
ACLY P53396 1/20 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
SCHEMBL70440 0.84 NR4A2 (0.59) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL14252250 0.84 NR4A2 (0.59) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL21681991 0.81 ACMSD (0.66) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL27552364 0.81 NR4A2 (0.56) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL14084580 0.81 EGFR (0.56) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL31607059 0.80 ACMSD (0.63) HNF4AACMSDACLY
SCHEMBL4651623 0.80 NR4A2 (0.55) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL30765671 0.80 NR4A2 (0.55) NR4A2EGFRMEN1MAPTKMT2A
SCHEMBL3135122 0.80 CHEK1 (0.60) NR4A2EGFRMAPTKMT2AALDH1A1
SCHEMBL1317476 0.80 ALDH1A1 (0.61) NR4A2EGFRMEN1MAPTKMT2A

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-109705126-A A kind of compound and application for organic electroluminescence device 赛洛普(武汉)科技有限公司 2019-05-03 CN disclosed