SCHEMBL3389986

SCHEMBL3389986

O=C(NCc1ccccc1O)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
MT-CO2 P00403 1/20 0.57
GAA P10253 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HIF1A Q16665 2/20 0.55
MPO P05164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.53
CYP2D6 P10635 1/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 4/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NAAA Q02083 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NLRP1 Q9C000 1/20 0.53
CA1 P00915 1/20 0.51

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
SCHEMBL26605330 0.88 HPGD (0.57) HPGDMT-CO2GAAKDM4EHIF1A
SCHEMBL8344108 0.85 CA12 (0.66) HPGDKDM4EHIF1AMPOTSHR
SCHEMBL8347813 0.84 CA12 (0.64) HPGDKDM4EHIF1AMPOTSHR
SCHEMBL6358813 0.82 MT-CO2 (0.65) HPGDMT-CO2KDM4ESMN1; SMN2LMNA
SCHEMBL1443574 0.82 ALOX5 (0.50) HPGDMT-CO2KDM4EHIF1ATSHR
SCHEMBL4334119 0.82 CA1 (0.53) HPGDGAAKDM4EHIF1AMPO
SCHEMBL29905822 0.82 CA1 (0.53) HPGDGAAKDM4EHIF1AMPO
SCHEMBL30646449 0.81 HPGD (0.67) HPGDGAAHIF1ASMN1; SMN2TSHR
SCHEMBL5723909 0.81 HPGD (0.67) HPGDGAAHIF1ASMN1; SMN2TSHR
SCHEMBL1979028 0.81 KMT2A (0.71) HPGDGAATSHRLMNAL3MBTL1

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-2010023685-A2 CRYSTALLINE FORM OF 2-(2-HYDROXY PHENYL)BENZ[E][1,3]OXAZIN-4-ONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO claimed
WO-2010023685-A2 CRYSTALLINE FORM OF 2-(2-HYDROXY PHENYL)BENZ[E][1,3]OXAZIN-4-ONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO disclosed