SCHEMBL4557434

SCHEMBL4557434

Clc1ccc2c(c1)c(Sc1ccccc1)cn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
FGFR1 P11362 1/20 0.43
KCNH2 Q12809 9/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RHEB Q15382 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G4A P47712 1/20 0.39

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
SCHEMBL10268362 0.81 CPT1A (0.53) PTGDR2MEN1KMT2APDE7APDE7B
SCHEMBL594829 0.80 PTGDR2 (0.44) PTGDR2KCNH2MEN1KMT2ARHEB
SCHEMBL4987443 0.79 PTGDR2 (0.41) PTGDR2KCNH2MEN1KMT2APDE7A
SCHEMBL21027884 0.78 PTGDR2 (0.49) PTGDR2MEN1KMT2APDE7APDE7B
SCHEMBL10172261 0.78 PTGDR2 (0.40) PTGDR2KCNH2MEN1KMT2AL3MBTL1
SCHEMBL14470724 0.77 PTGDR2 (0.61) PTGDR2MEN1KMT2APDE7APDE7B
SCHEMBL10172212 0.77 PTGDR2 (0.48) PTGDR2MEN1KMT2APDE7APDE7B
SCHEMBL596180 0.77 CA1 (0.46) PTGDR2
SCHEMBL16682431 0.77 PTGDR2 (0.39) PTGDR2KCNH2MEN1KMT2ARHEB
SCHEMBL25907637 0.75 FGFR1 (0.47) FGFR1KCNH2MEN1KMT2ALMNA

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-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed