SCHEMBL23868697

SCHEMBL23868697

c1cc(OCC2CO2)ccc1Nc1nc(Nc2ccc(OCC3CO3)cc2)nc(Nc2ccc(OCC3CO3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL24390598 0.89 ALDH1A1 (0.46) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL24390600 0.89 TDP1 (0.44) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL17018660 0.86 MAPT (0.43) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL11607635 0.82 TDP1 (0.71) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL23868689 0.82 ALDH1A1 (0.64) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL5390247 0.80 AURKA (0.59) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL21094081 0.80 TDP1 (0.79) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL20677146 0.80 TDP1 (0.79) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL50264 0.80 TDP1 (0.79) TDP1MAPTALDH1A1KMT2ATP53
SCHEMBL15169281 0.78 ALDH1A1 (0.60) TDP1MAPTALDH1A1KMT2ATP53

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
US-20210301180-A1 COMPOSITION, THERMALLY CONDUCTIVE SHEET, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2021-09-30 — — US disclosed
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