SCHEMBL9852390

SCHEMBL9852390

COc1ccc(C(=O)C(C#N)=Cc2ccccc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
RECQL P46063 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
CYP2C19 P33261 3/20 0.52
MAPK1 P28482 3/20 0.52
CYP1A2 P05177 2/20 0.52
PGR P06401 2/20 0.52
SLC6A2 P23975 2/20 0.52
CYP2D6 P10635 1/20 0.52
PDE4A P27815 1/20 0.52
HRH1 P35367 1/20 0.52
HTT P42858 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
SCHEMBL8977053 0.91 ALDH1A1 (0.51) LMNAMAPTABCG2NPC1RAB9A
SCHEMBL9852379 0.81 MCL1 (0.54) LMNAMAPTRECQLATML3MBTL1
SCHEMBL14104052 0.78 ALDH1A1 (0.68) MAPTATMALDH1A1HPGDCYP1A2
SCHEMBL13412689 0.78 ALDH1A1 (0.68) MAPTATMALDH1A1HPGDCYP1A2
SCHEMBL9246430 0.75 LMNA (0.59) LMNAMAPTABCG2NPC1RAB9A
SCHEMBL1893666 0.75 ABCG2 (0.53) LMNAMAPTABCG2NPC1RAB9A
SCHEMBL1893667 0.75 ABCG2 (0.53) LMNAMAPTABCG2NPC1RAB9A
SCHEMBL1893669 0.75 ABCG2 (0.53) LMNAMAPTABCG2NPC1RAB9A
SCHEMBL8976994 0.74 ALDH1A1 (0.55) LMNAMAPTRAB9ARECQLATM
SCHEMBL8976998 0.74 ALDH1A1 (0.55) LMNAMAPTRAB9ARECQLATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP claimed
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP disclosed