SCHEMBL5817048

SCHEMBL5817048

COc1ccc(-n2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 2/20 0.49
OXTR P30559 1/20 0.49
ADORA3 P0DMS8 2/20 0.48
ALDH1A1 P00352 4/20 0.48
GLA P06280 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RPA1 P27694 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
NPC1 O15118 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL5808026 0.89 SRC (0.55) L3MBTL1TP53ADORA3ALDH1A1GLA
SCHEMBL5816696 0.88 MEN1 (0.46) ALDH1A1NPSR1NPC1CYP2C19LMNA
SCHEMBL5820957 0.87 TP53 (0.46) TP53ADORA3ALDH1A1RAB9ANPSR1
SCHEMBL5820384 0.83 LMNA (0.47) L3MBTL1TP53ALDH1A1GLARAB9A
SCHEMBL5814485 0.79 SMN1; SMN2 (0.53) L3MBTL1ADORA3ALDH1A1ADORA2AADORA1
SCHEMBL7649140 0.78 TP53 (0.58) L3MBTL1TP53ADORA3ALDH1A1ADORA2A
SCHEMBL5815218 0.76 L3MBTL1 (0.48) L3MBTL1GLARAB9ANPC1CYP2C19
SCHEMBL5816762 0.75 ALDH1A1 (0.43) L3MBTL1ALDH1A1NPC1CYP2C19LMNA
SCHEMBL5819589 0.75 SRC (0.53) TP53ALDH1A1RAB9ANPSR1NPC1
SCHEMBL13114758 0.74 MAPT (0.47) ADORA3GLARAB9ANPC1LMNA

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-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO claimed