SCHEMBL29236145

SCHEMBL29236145

O=C(O)c1ccccc1-c1ccc2c(Cl)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
SOS1 Q07889 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PTPN1 P18031 1/20 0.46
TSHR P16473 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FTO Q9C0B1 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL29236239 0.83 SLC6A3 (0.68) FABP3FABP4FABP5ALDH1A1TSHR
SCHEMBL29618929 0.79 SLC6A2 (0.66) MCL1ACMSDFABP3FABP4FABP5
SCHEMBL84188 0.79 SLC6A2 (0.66) MCL1ACMSDFABP3FABP4FABP5
SCHEMBL30610922 0.79 SLC6A2 (0.66) MCL1ACMSDFABP3FABP4FABP5
SCHEMBL3542609 0.78 PTGER1 (0.56) ALDH1A1P2RX7RORB
Bromide SCHEMBL7032662 0.78 SLC6A2 (0.64) MCL1ACMSDFABP3FABP4FABP5
SCHEMBL4881566 0.78 ALDH1A1 (0.58) MCL1ACMSDALDH1A1MEN1KMT2A
SCHEMBL31513836 0.75 SOS1 (0.61) MCL1ACMSDSOS1ALDH1A1NR4A1
SCHEMBL689031 0.75 HNF4A (0.62) MCL1ACMSDFABP3FABP4FABP5
SCHEMBL14141576 0.75 CYP1A2 (0.43) ALDH1A1MEN1KMT2A

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-117730639-A Organic electronic device comprising a compound of formula (I), display device comprising said organic electronic device, and compound of formula (I) 诺瓦尔德股份有限公司 2024-03-19 CN disclosed