SCHEMBL8964807

SCHEMBL8964807

CCn1c2ccccc2c2cc(OC)c(C#N)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
HBB P68871 1/20 0.48
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
PDE10A Q9Y233 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 2/20 0.46
SRC P12931 2/20 0.46
PTGER4 P35408 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8964575 0.79 TP53 (0.52) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL28471451 0.77 SRC (0.51) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL13979310 0.75 KDM4E (0.70) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL14822412 0.75 RORC (0.77) MAPTKDM4EHPGDALDH1A1MEN1
SCHEMBL8965180 0.75 PTGER4 (0.58) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL18121158 0.74 KDM4E (0.68) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL29643208 0.74 PTGER4 (0.63) MAPTKDM4EHPGDALDH1A1MEN1
SCHEMBL21599721 0.74 PTGER4 (0.59) MAPTKDM4EHPGDALDH1A1MEN1
SCHEMBL5892136 0.74 PTGER4 (0.63) MAPTKDM4EHPGDALDH1A1MEN1
SCHEMBL28809379 0.74 RORC (0.48) MAPTKDM4EHPGDALDH1A1MEN1

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed