SCHEMBL12473396

SCHEMBL12473396

CN(C)C(CCN)c1nc(-c2cc3ccccc3o2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EIF4A1 P60842 2/20 0.35
▸ PSMD14 O00487 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL12473400 0.93 RAB9A (0.36) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473410 0.85 PRMT7 (0.35) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473398 0.85 PDE10A (0.37) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473402 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12473199 0.84 CNR2 (0.37) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473412 0.84 MAOB (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12473194 0.83 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473441 0.83 KMT2A (0.42) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL12473277 0.82 MAPT (0.35) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12473406 0.81 CD74 (0.37) RAB9ASMN1; SMN2MEN1ALDH1A1MAPT

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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