SCHEMBL13628819

SCHEMBL13628819

COOSc1cnc2c(c1)cc(-c1ccco1)n2Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
TSHR P16473 3/20 0.36
CPB1 P15086 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD5 Q86SK9 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL13628822 0.85 CYP1A2 (0.37) CNR1CNR2ALDH1A1TSHRHPGD
SCHEMBL13628838 0.85 CYP1A2 (0.36) CNR1CNR2ALDH1A1TSHRHPGD
SCHEMBL13628825 0.84 CYP1A2 (0.37) CNR1CNR2ALDH1A1POLBTSHR
SCHEMBL13628832 0.83 TRPC5 (0.38) CNR1CNR2ALDH1A1POLBTSHR
SCHEMBL13628861 0.82 RAB9A (0.38) CNR1CNR2ALDH1A1TSHRHPGD
SCHEMBL13628831 0.82 MCL1 (0.39) ALDH1A1TSHRRAB9AHSD17B10SMN1; SMN2
SCHEMBL13628864 0.79 CYP1A2 (0.39) CNR1CNR2ALDH1A1TSHRHPGD
SCHEMBL13628855 0.79 CYP1A2 (0.33) CNR1CNR2ALDH1A1POLBTSHR
SCHEMBL2922392 0.78 CNR2 (0.46) CNR1CNR2MAPTADORA3ADORA2A
SCHEMBL13628856 0.74 CNR2 (0.40) CNR1CNR2POLBLMNA

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
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed