SCHEMBL27699630

SCHEMBL27699630

O=C(NCCc1ccccc1)c1ccc(O)cn1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.72
▸ RAB9A P51151 8/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ EGFR P00533 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ APOBEC3A P31941 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL7703654 0.85 HIF1A (0.72) HIF1ARAB9ANPC1SMN1; SMN2
SCHEMBL28608835 0.85 HIF1A (0.85) HIF1ARAB9ANPC1EGFRLCK
SCHEMBL2142248 0.85 EGFR (0.62) HIF1AEGFRLCKSMN1; SMN2
SCHEMBL28344799 0.84 HIF1A (1.00) HIF1ARAB9ANPC1EGFRLCK
SCHEMBL30131466 0.80 KMT2A (0.69) HIF1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL27482073 0.80 GCGR (0.50) HIF1A
SCHEMBL7704092 0.80 KMT2A (0.69) HIF1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19289588 0.78 TP53 (0.54) HIF1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19508074 0.78 NPC1 (0.76) HIF1ARAB9ANPC1EGFRLCK
SCHEMBL28607757 0.77 HIF1A (1.00) HIF1ARAB9ANPC1SMN1; SMN2MEN1

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
CN-101146817-B Novel compounds derived from 5-thioxylose and therapeutic use thereof FOURNIER LAB SA 2011-08-17 — — CN disclosed
CN-101146817-A Novel compounds derived from 5-thioxylose and therapeutic use thereof FOURNIER LAB SA (FR) 2008-03-19 — — CN disclosed
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