SCHEMBL3385197

SCHEMBL3385197

Cn1nc(C(F)(F)F)cc1Oc1ccc([N+](=O)[O-])c(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
KMT2A Q03164 4/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 3/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTPN1 P18031 1/20 0.36
F10 P00742 1/20 0.35
PIN1 Q13526 1/20 0.35
SCN9A Q15858 2/20 0.35
SIRT6 Q8N6T7 1/20 0.34

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
SCHEMBL3385215 0.90 TGFBR1 (0.38) TGFBR1KMT2AADORA2AADORA1GPR119
SCHEMBL8871717 0.85 POLB (0.48) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL30353336 0.84 MERTK (0.39) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL28989766 0.84 MERTK (0.39) KMT2AADORA2AADORA1GPR119ALDH1A1
SCHEMBL8658906 0.82 KMT2A (0.49) TGFBR1KMT2AADORA2AADORA1GPR119
SCHEMBL31166291 0.80 GPR119 (0.41) TGFBR1KMT2AADORA2AADORA1GPR119
SCHEMBL5222977 0.76 KMT2A (0.42) TGFBR1KMT2AADORA2AADORA1GPR119
SCHEMBL6532552 0.72 ADORA2A (0.52) TGFBR1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL8675020 0.72 ADORA2A (0.46) TGFBR1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL8357453 0.70 MERTK (0.43) KMT2AALDH1A1HTTMEN1TTR

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-2149556-A1 Method for manufacturing asymmetrical substituted dipyrazolyloxyphenyl derivatives Bayer CropScience Aktiengesellschaft (DE) 2010-02-03 EP disclosed