SCHEMBL11213675

SCHEMBL11213675

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(OC(F)(F)F)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
XBP1 P17861 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CSF1R P07333 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36

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
SCHEMBL11589417 0.86 MAPT (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11590197 0.86 MAPT (0.46) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11587744 0.86 MAPT (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11592362 0.84 TDO2 (0.50) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11594701 0.84 MAPT (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11593893 0.83 HRAS (0.52) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9090962 0.83 MEN1 (0.47) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11433684 0.83 CCR2 (0.39) MEN1KMT2AMAPTLMNAAKR1C3
SCHEMBL11587743 0.81 MEN1 (0.48) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11587095 0.81 MEN1 (0.49) MEN1KMT2AMAPTLMNAGAA

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-4311710-A Anticoccidial formulation and method ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed