SCHEMBL10813664

SCHEMBL10813664

O=c1c(Br)c(Br)cnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HTT P42858 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
RXFP1 Q9HBX9 2/20 0.63
XBP1 P17861 2/20 0.63
LMNA P02545 2/20 0.62
PAX8 Q06710 2/20 0.62
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
XDH P47989 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
SCN2A Q99250 1/20 0.43
KAT2B Q92831 1/20 0.41
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL10812098 0.85 ALDH1A1 (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10814864 0.83 MAPT (0.60) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2887406 0.78 RAB9A (0.71) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4187625 0.78 SMN1; SMN2 (0.71) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4675793 0.78 RAB9A (0.71) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11582931 0.78 SMN1; SMN2 (0.71) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4743412 0.77 RAB9A (1.00) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1462668 0.76 RAB9A (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2894611 0.74 RAB9A (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2895263 0.74 ALDH1A1 (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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
EP-0102510-B1 SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONES BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
EP-0102510-A1 Substituted 4-fluoropyridaz-6-ones BASF Aktiengesellschaft (DE) 1984-03-14 EP disclosed