SCHEMBL10445819

SCHEMBL10445819

CCCCOc1nc2ccc(F)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
AXL P30530 1/20 0.47
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL10446089 0.93 GFER (0.49) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9269941 0.79 PDE4B (0.42) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9269933 0.79 PDE4B (0.42) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9167195 0.78 PTGS1 (0.64) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL10445851 0.77 TSHR (0.37) PTGS1PTGS2NPC1RAB9AMAPT
SCHEMBL9262517 0.77 PDE4B (0.40) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9262523 0.77 PDE4B (0.40) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9262520 0.77 PDE4B (0.40) GFERAXLPTGS1PTGS2NPC1
SCHEMBL9852614 0.77 GFER (0.47) GFERAXLPTGS1PTGS2NPC1
SCHEMBL28282484 0.74 PTGS1 (0.58) PTGS1PTGS2NPC1RAB9AALDH1A1

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
EP-0373461-A2 Benzazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-06-20 EP disclosed