SCHEMBL5309484

SCHEMBL5309484

CC1(C)C=Cc2c(ccc3oc4c([N+](=O)[O-])cccc4c23)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 1/20 0.38
PDE4D Q08499 2/20 0.37
RARA P10276 2/20 0.37
DYRK1A Q13627 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
BCHE P06276 1/20 0.36
CTSV O60911 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL16865536 0.72 NPC1 (0.42) NPC1RAB9APDE4DTDP1BCHE
SCHEMBL16694371 0.71 PTPN1 (0.46) NPC1RAB9AGPR35PDE4DBCHE
SCHEMBL16694678 0.69 HIF1A (0.49) KDM4ECA12CA1CA7CA9
SCHEMBL8680391 0.68 TDP1 (0.51) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL5308166 0.68 L3MBTL1 (0.45) NPC1RAB9ATDP1BCHEALDH1A1
SCHEMBL12410975 0.67 ALDH1A1 (0.41) NPC1RAB9APDE4DTDP1BCHE
SCHEMBL17917509 0.67 KMT2A (0.54) GPR35TDP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL12411214 0.66 HIF1A (0.38) NPC1RAB9APDE4DBCHEPTPN1
SCHEMBL5310251 0.66 NPC1 (0.41) NPC1RAB9APDE4DRARABCHE
SCHEMBL14541016 0.66 NPC1 (0.47) NPC1RAB9APDE4DRARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed