SCHEMBL1289503

SCHEMBL1289503

C[N+](C)(CCCN)c1nc(-c2cc3ccccc3o2)nc2cccc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ PRMT7 Q9NVM4 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ AR P10275 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ STAT1 P42224 1/20 0.31

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
SCHEMBL1289362 0.89 MAOB (0.38) CNR2PRMT7GRM4ADORA2AADORA1
SCHEMBL1289478 0.89 CXCR1 (0.33) PRMT7GRM4ADORA2AADORA1MAPT
Hydrochloric Acid SCHEMBL1289492 0.79 MAPT (0.42) CNR2MAPTALDH1A1KDM4EHPGD
SCHEMBL12473323 0.73 GPR55 (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4498559 0.73 APP (0.40) CNR2MAPTALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4506936 0.73 GPR55 (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1289456 0.67 LOXL2 (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1289508 0.65 AGXT (0.41) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL12473322 0.65 PRMT7 (0.34) PRMT7GRM4MAPTALDH1A1KDM4E
SCHEMBL1289427 0.65 LMNA (0.52) MAPTALDH1A1KDM4ESMN1; SMN2NPC1

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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