SCHEMBL8932307

SCHEMBL8932307

COc1cnnc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CRHBP P24387 1/20 0.30

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
SCHEMBL8932257 0.81 SMN1; SMN2 (0.34) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL8932318 0.71 PKM (0.43) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL8932234 0.70 KMT2A (0.49) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL8932271 0.66 KMT2A (0.39) KMT2AHDAC1HDAC8HDAC6HDAC5
SCHEMBL8325428 0.64 MAPT (0.36) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL26664506 0.64 PKM (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL8952165 0.64 PKM (0.46) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL9005068 0.63 CYP11B1 (0.38) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL8932259 0.63 PTGS1 (0.32)
SCHEMBL8932265 0.63 ALDH1A1 (0.30) ALDH1A1

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
US-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 US disclosed