SCHEMBL12473441

SCHEMBL12473441

COc1ccc2nc(-c3cc4ccccc4o3)nc(C(CCN)N(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ CD74 P04233 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 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
SCHEMBL12473317 0.93 KDM4E (0.42) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473406 0.91 CD74 (0.37) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473321 0.91 CD74 (0.41) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473410 0.87 PRMT7 (0.35) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473398 0.87 PDE10A (0.37) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473199 0.87 CNR2 (0.37) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473412 0.87 MAOB (0.38) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12473402 0.87 NPC1 (0.41) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12473396 0.83 NPC1 (0.36) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL12473319 0.82 PRMT7 (0.35) KMT2AMAPTKDM4EALDH1A1HSD17B10

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-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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