SCHEMBL30887130

SCHEMBL30887130

OCCn1c(-c2ccc(-c3nc4ccccc4[nH]3)s2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.53
▸ ALDH1A1 P00352 9/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ HPGD P15428 7/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ TP53 P04637 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ GAA P10253 5/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDGFRB P09619 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
SCHEMBL10364153 0.76 NPC1 (0.44) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL12543424 0.76 NPC1 (0.80) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL23383209 0.72 KDM4E (0.51) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL27154650 0.71 KDM4E (0.61) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL3336113 0.71 NPC1 (1.00) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL7485661 0.71 ALDH1A1 (0.55) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL6387107 0.70 HPGD (0.66) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23566014 0.70 KDM4E (0.69) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL230069 0.69 NPC1 (0.56) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL14646187 0.68 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10

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-2024074814-A9 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE THEREOF SUBLINO LIMITED (GB) 2025-05-22 — — WO disclosed
WO-2024074814-A1 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE SUBLINO LIMITED (GB) 2024-04-11 — — WO disclosed
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