SCHEMBL31034497

SCHEMBL31034497

O=P(O)(O)Oc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.56
PBRM1 Q86U86 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
HTR2A P28223 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
INPPL1 O15357 3/20 0.44
INPP5A Q14642 3/20 0.44
INPP5B P32019 2/20 0.44
NR4A2 P43354 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SRC P12931 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL540158 1.00 SLC22A6 (0.56) SLC22A6PBRM1GPR84HTR2AHTR1A
Glycerin SCHEMBL7561723 0.88 SLC22A6 (0.46) SLC22A6PBRM1GPR84HTR2AHTR1A
SCHEMBL27808262 0.86 SLC22A6 (0.57) SLC22A6PBRM1GPR84NR4A2CREBBP
SCHEMBL30903953 0.86 SLC22A6 (0.47) SLC22A6PBRM1HTR2AHTR1AHTR2C
O-Tolylamine SCHEMBL7799079 0.86 SLC22A6 (0.47) SLC22A6PBRM1HTR2AHTR1AHTR2C
SCHEMBL7800278 0.86 SLC22A6 (0.47) SLC22A6PBRM1HTR2AHTR1AHTR2C
SCHEMBL458847 0.86 SLC22A6 (0.47) SLC22A6PBRM1HTR2AHTR1AHTR2C
O-Tolylamine SCHEMBL6636539 0.86 SLC22A6 (0.47) SLC22A6PBRM1HTR2AHTR1AHTR2C
SCHEMBL1853697 0.85 SLC22A6 (0.54) SLC22A6PBRM1GPR84NR4A2CREBBP
SCHEMBL463226 0.85 SLC22A6 (0.46) SLC22A6PBRM1HTR2AHTR1AHTR2C

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-2024162494-A1 BIOSYNTHESIS OF 3-INDOXYL PHOSPHATE FROM 3-HYDROXYINDOLE USING KINASES AND INDIGO DYEING METHOD USING THE SAME 서울대학교산학협력단 2024-08-08 WO disclosed
WO-2024162494-A1 BIOSYNTHESIS OF 3-INDOXYL PHOSPHATE FROM 3-HYDROXYINDOLE USING KINASES AND INDIGO DYEING METHOD USING THE SAME 서울대학교산학협력단 2024-08-08 WO disclosed