SCHEMBL28786233

SCHEMBL28786233

S=C(O[InH2])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
F2 P00734 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.38
CES2 O00748 2/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL489956 0.78 MAPT (0.44) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL28648121 0.76 ALDH1A1 (0.42) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL29234728 0.74 MAPT (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL1478331 0.74 MAPT (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL812710 0.74 TSHR (0.52) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL28855135 0.74 MAPT (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL28345224 0.72 ALDH1A1 (0.39) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL3087539 0.72 ELANE (0.42) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7583060 0.72 ELANE (0.42) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL28100280 0.70 POLB (0.39) MAPTALDH1A1MEN1HPGDKMT2A

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-114728056-A Compounds for inducing antigen-specific immune tolerance 阿诺基昂股份公司 2022-07-08 CN disclosed