SCHEMBL14390862

SCHEMBL14390862

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccc(-c4cccnc4)o3)c2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL14391013 0.91 KDM4E (0.41) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL3593738 0.89 HPGD (0.45) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL3595419 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL14390890 0.79 PTGS1 (0.45) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL14390908 0.77 HPGDS (0.39) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL3582806 0.75 TSHR (0.43) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL14390907 0.74 KMT2A (0.46) ALDH1A1HPGDKDM4EGLAHSD17B10
SCHEMBL14390864 0.72 MAPT (0.38) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL3594101 0.72 MEN1 (0.45) ALDH1A1GAAMAPTRAB9ANPC1
SCHEMBL14390695 0.72 CSNK2A1 (0.43) KDM4EGAAMAPTRAB9ANPC1

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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