SCHEMBL9429635

SCHEMBL9429635

CCC(C#N)N(C)C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
TBK1 Q9UHD2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16433675 0.75 USP30 (0.31)
SCHEMBL9369273 0.75 NLRP3 (0.37) HTTNPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL8573718 0.72 ALDH1A1 (0.38) HTTPOLBSMN1; SMN2LMNAMAPT
SCHEMBL9373738 0.70 NLRP3 (0.34) NPSR1POLBSMN1; SMN2NPC1MAPT
SCHEMBL14216927 0.70 GAA (0.36) TBK1
SCHEMBL9321113 0.69 SMN1; SMN2 (0.38) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9481342 0.69 KDM4E (0.40) POLBSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL13168050 0.69 GABRA1 (0.33) HTTNPSR1SMN1; SMN2L3MBTL1MEN1
SCHEMBL9318624 0.69 MMP8 (0.42) POLBSMN1; SMN2NPC1LMNAL3MBTL1
SCHEMBL9321131 0.68 CA12 (0.40) SMN1; SMN2L3MBTL1

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-5338860-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1994-08-16 US disclosed