SCHEMBL20375720

SCHEMBL20375720

CC(=O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 2/20 0.64
KMT2A Q03164 2/20 0.64
MPO P05164 1/20 0.64
PMP22 Q01453 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC8 Q9BY41 1/20 0.55
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55
CTSC P53634 2/20 0.55
HTR2A P28223 2/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55

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
SCHEMBL16317501 0.89 KDM4E (0.65) KDM4EMAPTMEN1LMNATSHR
SCHEMBL8699875 0.89 KDM4E (0.69) KDM4EMAPTMEN1LMNATSHR
SCHEMBL29378473 0.89 KDM4E (0.65) KDM4EMAPTMEN1LMNATSHR
SCHEMBL18541537 0.89 KDM4E (0.65) KDM4EMAPTMEN1LMNATSHR
SCHEMBL8699883 0.89 KDM4E (0.69) KDM4EMAPTMEN1LMNATSHR
SCHEMBL6575986 0.88 KDM4E (0.61) KDM4EMAPTMEN1LMNATSHR
SCHEMBL7649881 0.87 KDM4E (0.67) KDM4EMAPTMEN1LMNATSHR
SCHEMBL8424403 0.87 KDM4E (0.67) KDM4EMAPTMEN1LMNATSHR
SCHEMBL23380924 0.86 POLB (0.66) KDM4EMAPTMEN1LMNATSHR
SCHEMBL24725504 0.85 KDM4E (0.64) KDM4EMAPTMEN1LMNATSHR

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
WO-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed