SCHEMBL16498386

SCHEMBL16498386

CCOC(=O)c1ccc2c(Cl)n(-c3ccccc3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ TP53 P04637 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GABRA2 P47869 3/20 0.49
▸ GABRB2 P47870 3/20 0.49
▸ HPGD P15428 2/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MPI P34949 1/20 0.47

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
SCHEMBL16499203 0.82 L3MBTL1 (0.46) MAPTKMT2ALMNAHPGDTDP1
SCHEMBL18692826 0.74 KMT2A (0.57) MAPTKMT2AGAAPDE4DTP53
SCHEMBL3299372 0.72 KMT2A (0.68) MAPTKMT2AGAAPDE4DTP53
SCHEMBL7268 0.72 KMT2A (0.68) MAPTKMT2AGAAPDE4DTP53
SCHEMBL6123645 0.72 ALDH1A1 (0.57) MAPTGAAPDE4DTP53HPGD
SCHEMBL28625965 0.71 KMT2A (0.67) MAPTKMT2AGAAPDE4DTP53
SCHEMBL4981925 0.70 LMNA (0.56) KMT2AGAAPDE4DTP53LMNA
SCHEMBL22896893 0.70 KMT2A (0.65) MAPTKMT2AGAAPDE4DTP53
SCHEMBL10374929 0.70 TP53 (0.75) MAPTPDE4DTP53HPGDCYP1A2
SCHEMBL13853259 0.70 CYP1A2 (0.50) MAPTKMT2AGAAGABRA2GABRB2

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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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