SCHEMBL1164652

SCHEMBL1164652

CCCCCCCCc1sc(-c2cccs2)c(C#N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 8/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 2/20 0.42
STAT6 P42226 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA1 P30542 3/20 0.34
PIM1 P11309 1/20 0.34
ADORA2A P29274 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1164257 0.79 TSHR (0.35) KDM4EMAPTHTTHSD17B10TSHR
SCHEMBL1164306 0.79 TSHR (0.35) KDM4EMAPTHSD17B10TSHR
SCHEMBL4777219 0.78 KDM4E (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12878267 0.76 MAPT (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5373030 0.76 KDM4E (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5361361 0.76 KDM4E (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4775600 0.76 KDM4E (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16596446 0.75 MAPT (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12878322 0.75 MAPT (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12913178 0.74 KDM4E (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A

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-2011020712-A2 OLIGOTHIOPHENES DERIVATIVES UNIVERSITE LIBRE DE BRUXELLES (BE) 2011-02-24 WO disclosed