SCHEMBL4081022

SCHEMBL4081022

O=C(Nc1n[nH]c2cc(C(=O)O)oc12)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.50
KIT P10721 3/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
GPR35 Q9HC97 2/20 0.44
PGR P06401 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
SERPINE1 P05121 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42

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
SCHEMBL4083540 0.90 FGFR1 (0.50) FLT3NPC1RAB9AGPR35HDAC6
SCHEMBL4088594 0.88 GPR35 (0.55) NPC1RAB9AGPR35HDAC6
SCHEMBL4091567 0.85 AURKA (0.48) FLT3KITNPC1RAB9AATM
SCHEMBL4082126 0.85 HDAC6 (0.48) NPC1RAB9AGPR35HDAC6HTT
SCHEMBL3879252 0.84 GPR35 (0.45) FLT3NPC1RAB9AGPR35HDAC6
SCHEMBL4092896 0.84 HDAC6 (0.51) FLT3NPC1RAB9AGPR35HDAC6
SCHEMBL4091914 0.83 SMN1; SMN2 (0.51) FLT3NPC1RAB9AGPR35HDAC6
SCHEMBL2913699 0.82 GPR35 (0.51) NPC1RAB9AATMGPR35HTT
SCHEMBL4081310 0.81 GPR35 (0.52) FLT3NPC1RAB9AGPR35HDAC6
SCHEMBL4084078 0.79 KIT (0.57) FLT3KIT

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed