SCHEMBL10440889

SCHEMBL10440889

O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2ncc[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
AR P10275 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
PDE7A Q13946 1/20 0.40
MAPT P10636 3/20 0.40
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9292469 0.82 NPC1 (0.44) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL5249670 0.81 MAPT (0.56) ABCC8KCNJ11MEN1KMT2ANPC1
SCHEMBL8540776 0.80 AMY1A (0.48) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL31463535 0.80 AMY1A (0.48) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL5747525 0.80 MEN1 (0.46) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL4055359 0.79 HSD17B10 (0.49) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL8539529 0.79 GPR35 (0.49) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL8615132 0.76 NPC1 (0.42) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL8536767 0.76 CYP3A4 (0.46) MEN1KMT2ANPC1HSP90AA1AGTR1
SCHEMBL8536769 0.76 NPC1 (0.42) MEN1KMT2ANPC1HSP90AA1AGTR1

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
EP-0393721-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-10-24 EP disclosed