Isoxazole

Isoxazole

SCHEMBL4373885

O=C(O)C(Br)c1noc2ccccc12.c1cnoc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.37
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SORD Q00796 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
MAOB P27338 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL14185644 0.88 HIF1A (0.45) HIF1ASMN1; SMN2TP53CES2CES1
SCHEMBL692254 0.88 HIF1A (0.45) HIF1ASMN1; SMN2TP53CES2CES1
SCHEMBL11208465 0.71 HIF1A (0.44) HIF1ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL11202946 0.71 HIF1A (0.46) HIF1ASMN1; SMN2TP53CA12CA1
SCHEMBL5294295 0.70 HIF1A (0.45) HIF1ASMN1; SMN2TP53CA12CA1
SCHEMBL9689288 0.69 FAAH (0.46) HIF1ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL11211934 0.68 HIF1A (0.43) HIF1ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL753859 0.67 HIF1A (0.42) HIF1ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL4983840 0.67 HIF1A (0.42) HIF1ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL8663680 0.66 ESR1 (0.42) HIF1ASMN1; SMN2NPC1RAB9ASORD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750696-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-07-15 EP disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 EP disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed