SCHEMBL14390696

SCHEMBL14390696

N/N=C(\NN)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 8/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ USP2 O75604 4/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ CLK4 Q9HAZ1 4/20 0.33
▸ ALOX15 P16050 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 6/20 0.32
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TSHR P16473 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
SCHEMBL14391095 0.88 GAA (0.39) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14390892 0.79 ALOX5AP (0.36) LMNA
SCHEMBL14390693 0.79 ACMSD (0.46) HPGD
SCHEMBL14392510 0.78 ALDH1A1 (0.39) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14390898 0.76 KMT2A (0.40) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14390902 0.76 HPGD (0.36) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14390996 0.76 ADORA2A (0.39) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL14391001 0.74 ADORA2A (0.47) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14390900 0.74 MRGPRX4 (0.41) CYP2C19NPC1
SCHEMBL14392313 0.74 ALDH1A1 (0.34) MEN1KMT2AGAAPOLBALDH1A1

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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