SCHEMBL27376982

SCHEMBL27376982

O=C(NCc1cc(F)cc(-c2cnn(-c3ccc(F)cc3)c2)c1)c1ncnc2nc(C3CC(C(=O)O)C3)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.36
▸ APOL1 O14791 2/20 0.34
▸ KIT P10721 2/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ TRPA1 O75762 6/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ WNT1 P04628 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ MELK Q14680 1/20 0.31

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
SCHEMBL30751055 1.00 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL27377149 0.93 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL30751316 0.93 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL30751057 0.93 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL30751051 0.92 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL27376895 0.92 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL31457000 0.92 MET (0.36) METAPOL1KITNR2E3TRPA1
SCHEMBL30751355 0.91 MET (0.37) METKITNR2E3TRPA1DYRK1A
SCHEMBL27375170 0.91 MET (0.37) METKITNR2E3TRPA1DYRK1A
SCHEMBL30751091 0.91 MET (0.35) METKITNR2E3TRPA1DYRK1A

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
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
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