SCHEMBL28820698

SCHEMBL28820698

C/C=C/C=C/c1ccc2nc(C)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTT P42858 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LDHA P00338 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ DYRK3 O43781 3/20 0.39
▸ CLK1 P49759 3/20 0.39
▸ CLK2 P49760 3/20 0.39

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
SCHEMBL29882188 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6268298 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6268297 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL30224526 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4533808 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31428653 0.76 ESR1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL26634012 0.76 ESR1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL12810233 0.76 PTGS1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL12810135 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL27936386 0.74 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 — — CN disclosed
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