SCHEMBL4162041

SCHEMBL4162041

O=C(Cc1ccccc1)Nc1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.56
▸ NAMPT P43490 1/20 0.53
▸ NR2E3 Q9Y5X4 3/20 0.52
▸ DGAT1 O75907 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MMP2 P08253 4/20 0.48
▸ MMP9 P14780 4/20 0.48
▸ MMP8 P22894 4/20 0.48
▸ MMP13 P45452 3/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48

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
SCHEMBL1248817 0.89 DGAT1 (0.64) KDRNAMPTNR2E3DGAT1MEN1
SCHEMBL14642393 0.82 TP53 (0.72) TP53RXFP1MEN1KMT2AALDH1A1
SCHEMBL1251055 0.80 DGAT1 (0.79) KDRNR2E3DGAT1TP53RXFP1
SCHEMBL1251122 0.76 ALDH1A1 (0.65) KDRNR2E3TP53MEN1KMT2A
SCHEMBL13679620 0.76 LDLR (0.65) KDRTP53RXFP1ALDH1A1LMNA
SCHEMBL3182256 0.76 CHEK2 (0.60) DGAT1TP53MEN1KMT2AALDH1A1
SCHEMBL14615285 0.75 MAPT (0.73) TP53RXFP1MEN1KMT2ALMNA
SCHEMBL1250204 0.74 DGAT1 (0.64) KDRNR2E3DGAT1MEN1KMT2A
SCHEMBL23657828 0.74 ACP1 (0.60) KDRNAMPTMEN1KMT2AALDH1A1
SCHEMBL13679578 0.73 MAPT (0.73) KDRTP53RXFP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO claimed
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