SCHEMBL4786381

SCHEMBL4786381

CCCCCn1ncc(Br)c(Br)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.55
▸ ALDH1A1 P00352 8/20 0.55
▸ MAPT P10636 8/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ S1PR4 O95977 4/20 0.55
▸ S1PR1 P21453 4/20 0.55
▸ MITF O75030 2/20 0.55
▸ PKM P14618 1/20 0.44
▸ HTT P42858 6/20 0.41
▸ NPSR1 Q6W5P4 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ XBP1 P17861 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL8544400 0.80 NPC1 (0.64) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9775189 0.79 MAPT (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8281626 0.77 NPC1 (0.60) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2945239 0.77 PKM (0.41) PKM
SCHEMBL4128504 0.77 NPC1 (0.59) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4782675 0.75 TBXAS1 (0.39) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2888709 0.70 NPC1 (0.75) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4292263 0.70 NPC1 (0.50) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11759940 0.70 NPC1 (0.58) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4183392 0.69 NPC1 (0.54) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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-2008101615-A1 METHOD FOR PRODUCING 4,5-DIHALOGEN-2-ARYL-2H-PYRIDAZIN-3-ONES BAYER ANIMAL HEALTH GMBH (DE) 2008-08-28 — — WO disclosed
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