SCHEMBL30868882

SCHEMBL30868882

N#CSc1nc2ccccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAUR Q03405 1/20 0.51
▸ KDM4E B2RXH2 8/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ KHK P50053 1/20 0.47
▸ HTT P42858 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PYGM P11217 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ BCHE P06276 1/20 0.44

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
SCHEMBL13768217 0.78 KDM4E (0.60) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL11096413 0.78 BCHE (0.59) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL28663931 0.75 KDM4E (0.54) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL30129078 0.75 KDM4E (0.54) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL11845427 0.75 PLAUR (0.56) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL11239794 0.71 KDM4E (0.64) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28465606 0.69 DAO (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL1029154 0.68 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL16403339 0.68 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL1589916 0.68 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1

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-117924194-A 7-Thiocyanoquinoxalinone compound and synthesis method thereof 延安大学 2024-04-26 — — CN claimed
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