SCHEMBL10817035

SCHEMBL10817035

O=c1c(Br)c(F)cnn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 3/20 0.50
GFER P55789 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SCN2A Q99250 1/20 0.47
MAPK14 Q16539 1/20 0.46
HPN P05981 1/20 0.46
ABHD16A O95870 1/20 0.44

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
SCHEMBL10814864 0.87 MAPT (0.60) MAPTRAB9AHPGDNPC1GFER
SCHEMBL10813878 0.85 MAPT (0.53) MAPTRAB9AHPGDNPC1GFER
SCHEMBL10812098 0.84 ALDH1A1 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL10815062 0.79 RAB9A (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL27619397 0.77 RAB9A (0.70) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL10818322 0.76 RAB9A (0.63) MAPTRAB9AHPGDNPC1GFER
SCHEMBL15330680 0.73 MAPT (0.51) MAPTRAB9AHPGDNPC1GFER
SCHEMBL3586307 0.72 MAPT (0.56) MAPTRAB9AHPGDNPC1GFER
SCHEMBL31276114 0.72 MAPT (0.62) MAPTRAB9AHPGDNPC1GFER
SCHEMBL14966296 0.72 RAB9A (0.46) MAPTRAB9AHPGDNPC1GFER

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