SCHEMBL5815218

SCHEMBL5815218

O=c1n(-c2ccc(F)cc2F)nc(-c2ccccc2)n1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
GLA P06280 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 1/20 0.39
CYP2C19 P33261 1/20 0.38
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36

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
SCHEMBL5817016 0.89 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AGLAOPRM1
SCHEMBL5816696 0.84 MEN1 (0.46) NPC1MEN1KMT2ACYP2C19IDO1
SCHEMBL5820957 0.80 TP53 (0.46) NPC1RAB9AMEN1KMT2ACYP2C19
SCHEMBL5820384 0.79 LMNA (0.47) L3MBTL1NPC1RAB9AGLAMEN1
SCHEMBL5817048 0.76 L3MBTL1 (0.52) L3MBTL1NPC1RAB9AGLACYP2C19
SCHEMBL5814485 0.75 SMN1; SMN2 (0.53) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL5816762 0.74 ALDH1A1 (0.43) L3MBTL1NPC1MEN1KMT2ACYP2C19
SCHEMBL13114758 0.70 MAPT (0.47) NPC1RAB9AGLAMEN1KMT2A
SCHEMBL7658070 0.70 NPC1 (0.44) L3MBTL1NPC1RAB9A
SCHEMBL5819589 0.68 SRC (0.53) NPC1RAB9AMEN1KMT2A

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 disclosed