SCHEMBL8551939

SCHEMBL8551939

Cc1nn(-c2ccccc2)c(NCCN2CCOCC2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 7/20 0.48
HSD17B10 Q99714 6/20 0.48
CASP1 P29466 4/20 0.48
TSHR P16473 4/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
CASP7 P55210 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
CHRM1 P11229 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL8554342 0.77 NTRK1 (0.51) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8555685 0.77 KDM4E (0.46) ALDH1A1KDM4EHSD17B10CASP1TSHR
SCHEMBL8559433 0.75 LRRK2 (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8551978 0.74 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8554132 0.73 GAA (0.48) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL8553162 0.70 GAA (0.45) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL10706449 0.67 ACHE (0.62) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7519805 0.67 KMT2A (0.59) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL5549334 0.67 MEN1 (0.68) TSHRGAAPOLBMEN1KMT2A
SCHEMBL6445232 0.67 ACHE (0.56) ALDH1A1KDM4EHPGDHSD17B10ACHE

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed