SCHEMBL9852393

SCHEMBL9852393

COc1ccc(C(=O)C(C#N)=Cc2ccccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
MEN1 O00255 3/20 0.48
SENP1 Q9P0U3 1/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 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
SCHEMBL8977055 0.86 MIF (0.56) KMT2AKDM4ELMNACES2CES1
SCHEMBL9852384 0.82 SENP1 (0.51) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL14104052 0.80 ALDH1A1 (0.68) KMT2AKDM4EPKMCES2CES1
SCHEMBL13412689 0.80 ALDH1A1 (0.68) KMT2AKDM4EPKMCES2CES1
SCHEMBL8965376 0.78 ALDH1A1 (0.55) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL8976994 0.78 ALDH1A1 (0.55) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL8976998 0.78 ALDH1A1 (0.55) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL6883491 0.77 ADORA2A (0.66) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL9800315 0.77 ADORA2A (0.66) KMT2AKDM4ELMNAPKMMEN1
SCHEMBL14103907 0.76 EGFR (0.64) KMT2AKDM4ELMNAPKMCES2

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