SCHEMBL8666867

SCHEMBL8666867

COc1ccc(C2(C3(c4ccc(OC)c5ccccc45)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ACACA Q13085 1/20 0.38
CDC25B P30305 2/20 0.37
NQO1 P15559 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPT P10636 2/20 0.36
TDO2 P48775 1/20 0.36
NQO2 P16083 1/20 0.36
PLK1 P53350 1/20 0.36
NPC1 O15118 2/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL29616494 0.80 CA12 (0.41) LMNAHPGDSMN1; SMN2TNKSTNKS2
SCHEMBL152089 0.80 CA12 (0.41) LMNAHPGDSMN1; SMN2TNKSTNKS2
SCHEMBL8665808 0.79 CYP1A2 (0.45) HPGDTNKSTNKS2L3MBTL1
SCHEMBL491149 0.77 CYP1A1 (0.45) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8665239 0.76 MAPT (0.47) IDO1LMNAHPGDSMN1; SMN2ACACA
SCHEMBL8665295 0.76 CYP2A6 (0.45) LMNAMAPT
SCHEMBL11595679 0.75 KMT2A (0.37) LMNAHPGDSMN1; SMN2TNKSTNKS2
SCHEMBL5841127 0.74 ALDH1A1 (0.40) LMNAHPGDSMN1; SMN2TNKSTNKS2
SCHEMBL8666981 0.71 MAPT (0.39) LMNAHPGDSMN1; SMN2MAPTNPC1
SCHEMBL419307 0.71 IDO1 (0.73) IDO1EP300KAT8LMNAHPGD

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
US-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed