SCHEMBL20072222

SCHEMBL20072222

Cc1cc(NC=O)c2ccncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ERN1 O75460 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 2/20 0.35
IMPDH2 P12268 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL20072220 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL17577877 0.76 ROCK1 (0.55) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL28163867 0.74 ROCK1 (0.54) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL20072218 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL21559903 0.74 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL23841183 0.74 KDM4E (0.44) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL8404559 0.72 CYP1A2 (0.52) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL28866140 0.71 PTGS1 (0.41) MAPTPTGS1IMPDH2PTGS2
SCHEMBL14361044 0.71 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL23841177 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526239-B1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORP (KR) 2021-11-03 EP disclosed
WO-2018069764-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2018-04-19 WO disclosed