SCHEMBL16181982

SCHEMBL16181982

NCNC(=O)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.65
BLM P54132 2/20 0.65
PMP22 Q01453 2/20 0.65
HIF1A Q16665 2/20 0.65
MPO P05164 1/20 0.65
CYP3A4 P08684 1/20 0.65
KDM5A P29375 1/20 0.65
MAPT P10636 4/20 0.50
CYP1A2 P05177 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL28830270 0.83 CYP1A2 (0.70) GFERBLMPMP22HIF1AMPO
SCHEMBL1161862 0.82 GFER (0.64) GFERBLMPMP22HIF1AMPO
Hydrochloric Acid SCHEMBL32665514 0.82 BLM (0.71) GFERBLMPMP22HIF1AMPO
SCHEMBL1696266 0.81 NPC1 (0.54) NPC1RAB9AHDAC1MEN1KMT2A
SCHEMBL17299368 0.81 CA12 (0.50) BLMPMP22HIF1AMAPTCYP1A2
SCHEMBL13009911 0.81 HDAC6 (0.68) BLMPMP22HIF1AMAPTCYP1A2
SCHEMBL47366 0.81 CYP1A2 (0.72) GFERBLMPMP22MAPTCYP1A2
SCHEMBL17623623 0.80 HDAC3 (0.59) GFERBLMPMP22HIF1AMPO
SCHEMBL948542 0.80 GAA (0.68) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL80530 0.79 MPO (1.00) GFERBLMPMP22HIF1AMPO

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-2582696-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2014-10-22 EP disclosed