SCHEMBL13728239

SCHEMBL13728239

Cc1ccc(Cc2ncc(O)c(O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
SRD5A2 P31213 1/20 0.38
HTR6 P50406 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11000428 0.83 HTR2C (0.46) HTR2CHTR2BSRD5A2HTR6ALOX5
SCHEMBL1585413 0.82 CHRM4 (0.45) HTR2CHTR6ALOX5
SCHEMBL11785420 0.80 SRD5A2 (0.46) HTR2CHTR2BSRD5A2SMN1; SMN2KMT2A
SCHEMBL13728722 0.78 HTR6 (0.44) HTR2CHTR2BSRD5A2HTR6ALOX5
SCHEMBL13727051 0.71 LMNA (0.30) LMNA
SCHEMBL13727351 0.71 HTR6 (0.37) HTR2CHTR2BSRD5A2HTR6ALOX5
SCHEMBL27928499 0.70 HTR2C (0.46) HTR2CHTR2BHTR6LMNASMN1; SMN2
SCHEMBL11000504 0.69 ESR1 (0.43) HTR2CHTR2BL3MBTL1LMNASMN1; SMN2
SCHEMBL8130252 0.69 HTR2C (0.48) HTR2CHTR2BHTR6
SCHEMBL5750728 0.69 SORD (0.34) L3MBTL1

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed