SCHEMBL29286331

SCHEMBL29286331

O[C@@H]1[C@@H](O)[C@H](c2cc3ccccc3[nH]2)OC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
AOC3 Q16853 2/20 0.38
DAO P14920 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
SRD5A2 P31213 1/20 0.38
DDO Q99489 1/20 0.38
CA2 P00918 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL7029714 1.00 FLT3 (0.39) FLT3PTPN2PTPN1SLC6A3SLC6A4
SCHEMBL7134526 1.00 FLT3 (0.39) FLT3PTPN2PTPN1SLC6A3SLC6A4
SCHEMBL29666130 0.78 DAO (0.42) DAOMAPT
SCHEMBL9027058 0.78 AOC3 (0.44) FLT3PTPN2PTPN1SLC6A3SLC6A4
SCHEMBL6007587 0.74 SLC6A3 (0.41) FLT3SLC6A3SLC6A4AOC3DAO
SCHEMBL28550307 0.73 AOC3 (0.42) FLT3SLC6A3SLC6A4AOC3DAO
SCHEMBL8362416 0.72 PYGL (0.54) SLC5A2KDM4EMAPTSMN1; SMN2
SCHEMBL5823173 0.72 PYGL (0.54) SLC5A2KDM4EMAPTSMN1; SMN2
SCHEMBL73543 0.70 AOC3 (0.47) FLT3SLC6A3SLC6A4AOC3DAO
SCHEMBL28748112 0.68 ALDH1A1 (0.44) SLC6A3SLC6A4AOC3KDM4EHPGD

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
CN-109071435-A Indoline derivative object includes their compositions and application thereof 耶路撒冷希伯来大学伊森姆研究发展公司 2018-12-21 CN disclosed