SCHEMBL31220870

SCHEMBL31220870

N#Cc1ccc2c(c1)NC1(CCSCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ VNN1 O95497 1/20 0.39
▸ ACAT2 Q9BWD1 1/20 0.37
▸ MAOB P27338 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ EGLN2 Q96KS0 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PRKCQ Q04759 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ PDE5A O76074 2/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL17757409 1.00 MEN1 (0.41) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757574 0.93 MEN1 (0.40) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757593 0.91 MEN1 (0.39) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757297 0.91 ACAT2 (0.44) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757329 0.90 VNN1 (0.38) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757405 0.89 ACAT2 (0.39) MEN1KMT2AACAT2MAOBHTR6
SCHEMBL17757827 0.89 KMT2A (0.41) MEN1KMT2AVNN1ACAT2MAOB
SCHEMBL17757084 0.86 VNN1 (0.38) MEN1KMT2AVNN1MAOBMAPK1
SCHEMBL17758049 0.86 ACAT2 (0.43) MEN1KMT2AACAT2MAOBHTR6
SCHEMBL17757568 0.85 CYP1A2 (0.37) MEN1KMT2AACAT2MAOBHTR6

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-116589479-B Quinoxaline derivative with antifungal activity and application thereof 中国人民解放军海军军医大学 2024-11-22 — — CN disclosed
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