Isothiocyanate

Isothiocyanate

SCHEMBL28886232

Fc1ccccc1-c1ccccc1-c1ccccc1.N=C=S

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
HTT P42858 1/20 0.37
MAP4K1 Q92918 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5066129 0.87 MAPK1 (0.47) RAB9AMAPK1L3MBTL1MEN1NPC1
Hydrogen Sulfide SCHEMBL27780110 0.85 MAPK1 (0.46) RAB9AMAPK1L3MBTL1MEN1NPC1
Isothiocyanate SCHEMBL29993459 0.85 ALDH1A1 (0.46) MAPK1ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL201614 0.78 L3MBTL1 (0.50) RAB9AMAPK1L3MBTL1MEN1NPC1
SCHEMBL29208960 0.75 L3MBTL1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL29097687 0.75 MAPK1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1
SCHEMBL29220725 0.75 L3MBTL1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1
Bromide SCHEMBL29097483 0.75 L3MBTL1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1
Lithium SCHEMBL30864202 0.75 L3MBTL1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1
SCHEMBL7732348 0.75 L3MBTL1 (0.48) RAB9AMAPK1L3MBTL1MEN1NPC1

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-115322352-A Preparation and application of liquid crystal polymer based on 6-hydroxy-2-naphthoic acid derivative 武汉科技大学 2022-11-11 CN disclosed