SCHEMBL20156488

SCHEMBL20156488

C=C(CC)c1cc(C#N)c(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL23370244 0.80 L3MBTL1 (0.33) L3MBTL1ALDH1A1KDM4EGAAMEN1
SCHEMBL20156606 0.78 FASN (0.37)
SCHEMBL20156475 0.77 VNN1 (0.40) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL20156514 0.76 FASN (0.35)
SCHEMBL19113576 0.73
SCHEMBL21318015 0.72 KDM4E (0.58) L3MBTL1ALDH1A1KDM4EGAAMEN1
SCHEMBL20156578 0.72 CYP3A4 (0.44) ALDH1A1MAPTHSD17B10TSHR
SCHEMBL20123151 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL5945887 0.71 TSHR (0.48) L3MBTL1ALDH1A1KDM4EMEN1MAPT
SCHEMBL18192044 0.70 TSHR (0.42) L3MBTL1ALDH1A1KDM4EGAAHSD17B10

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed