SCHEMBL18504935

SCHEMBL18504935

CCCCCCCCC(C)N1C(=O)c2c(C)sc(C)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
SHMT2 P34897 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
PTPN1 P18031 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL18504939 0.87 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL16307270 0.85 FDPS (0.34) SMN1; SMN2PKMHTTHSD17B10MEN1
SCHEMBL14716584 0.83 SMN1; SMN2 (0.35) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL16307272 0.78 ACE2 (0.36) SMN1; SMN2PKMHTTHSD17B10SHMT2
SCHEMBL16307283 0.76 LMNA (0.35) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL16604934 0.76 LMNA (0.35) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL16604924 0.75 LMNA (0.34) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL18517127 0.74 SMN1; SMN2 (0.38) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL14881262 0.74 SMN1; SMN2 (0.38) SMN1; SMN2PKMHTTHSD17B10LMNA
SCHEMBL12748824 0.74 SMN1; SMN2 (0.35) SMN1; SMN2PKMHTTHSD17B10LMNA

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-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed