SCHEMBL20845647

SCHEMBL20845647

CCN1C=C(c2ccccc2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
RAB9A P51151 2/20 0.35
BRD4 O60885 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PARL Q9H300 1/20 0.34
RCE1 Q9Y256 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL9918967 0.76 CFTR (0.39) CFTRGOPCRAB9ABRD4APP
SCHEMBL26202934 0.71 KCNH2 (0.35) CFTRGOPCRAB9ASMN1; SMN2APP
SCHEMBL28396338 0.70 BRD4 (0.38) CFTRGOPCBRD4KDM4ERCE1
SCHEMBL9800255 0.64 PARL (0.41) CFTRGOPCRAB9ABRD4SMN1; SMN2
SCHEMBL9319064 0.63 NPC1 (0.35) CFTRGOPCRAB9ABRD4SMN1; SMN2
SCHEMBL7959486 0.61 NPC1 (0.52) CFTRGOPCRAB9ASMN1; SMN2LMNA
SCHEMBL26769639 0.60 NPC1 (0.32) RAB9ABRD4APPNR1H2NR1H3
SCHEMBL14560459 0.59 NR1H2 (0.69) KDM4ERCE1NR1H2NR1H3LMNA
Biphenyl SCHEMBL15657385 0.59 ALDH1A1 (0.60) CFTRGOPCRAB9ASMN1; SMN2KDM4E
SCHEMBL25162957 0.58 HPGD (0.53) BRD4HPGDMEN1KMT2A

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-2019060693-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2019-03-28 WO disclosed