SCHEMBL31447950

SCHEMBL31447950

O=C(/C=C/c1c[nH]c2ccccc12)Nc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.60
▸ MMP1 P03956 4/20 0.60
▸ MMP2 P08253 4/20 0.60
▸ MMP9 P14780 4/20 0.60
▸ MAOA P21397 4/20 0.60
▸ EGFR P00533 2/20 0.60
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ IMPDH2 P12268 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51

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
SCHEMBL18929474 0.86 MEN1 (0.55) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL31447994 0.86 MMP1 (0.60) MAOBMMP1MMP2MMP9EGFR
SCHEMBL31448015 0.86 STING1 (0.60) MAOBMAOAEGFRMEN1KMT2A
SCHEMBL12778215 0.86 MMP1 (0.60) MAOBMMP1MMP2MMP9MAOA
SCHEMBL31447953 0.86 MMP1 (0.60) MAOBMMP1MMP2MMP9MAOA
SCHEMBL6754286 0.85 EGFR (0.49) MAOBMMP1MMP2MMP9MAOA
SCHEMBL6754291 0.85 EGFR (0.49) MAOBMMP1MMP2MMP9MAOA
SCHEMBL12844838 0.85 IMPDH2 (0.51) MAOBMMP1MMP2MMP9MAOA
SCHEMBL2086187 0.85 MEN1 (0.62) MEN1KMT2ANPC1RAB9AIMPDH2
SCHEMBL16790671 0.85 MEN1 (0.60) MEN1KMT2ANPC1RAB9AIMPDH2

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-119330869-A Indole acrylic amide derivative and preparation method and application thereof 常州大学 2025-01-21 — — CN disclosed
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