SCHEMBL21974599

SCHEMBL21974599

O=C(c1ccccc1)c1cccc(Cc2cc(C(=O)c3cccc(C(=O)c4ccccc4)c3)cc(C(=O)c3cccc(C(=O)c4ccccc4)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
ATM Q13315 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 1/20 0.52
PBRM1 Q86U86 1/20 0.52
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
CYP19A1 P11511 1/20 0.50
SRD5A2 P31213 2/20 0.49
CNR2 P34972 1/20 0.49
MPO P05164 1/20 0.48
FOLH1 Q04609 1/20 0.46
PTGS2 P35354 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12551537 0.92 ATM (0.64) L3MBTL1ATMTDP1ALDH1A1PBRM1
SCHEMBL23098254 0.89 ATM (0.61) L3MBTL1ATMTDP1ALDH1A1PBRM1
SCHEMBL12551541 0.86 ATM (0.57) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL134300 0.84 ATM (0.95) L3MBTL1ATMTDP1ALDH1A1PBRM1
SCHEMBL134024 0.84 ATM (0.95) L3MBTL1ATMTDP1ALDH1A1PBRM1
Benzophenone SCHEMBL28055726 0.82 ALDH1A1 (0.70) L3MBTL1ATMTDP1ALDH1A1SRD5A2
SCHEMBL9324919 0.82 ATM (1.00) L3MBTL1ATMTDP1ALDH1A1PBRM1
SCHEMBL135162 0.82 ATM (1.00) L3MBTL1ATMTDP1ALDH1A1PBRM1
SCHEMBL12551539 0.81 ATM (0.55) L3MBTL1ATMTDP1ALDH1A1CYP19A1
SCHEMBL7046114 0.81 L3MBTL1 (0.65) L3MBTL1ATMTDP1ALDH1A1PBRM1

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
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed