SCHEMBL9687354

SCHEMBL9687354

O=[N+]([O-])Nc1cccc(C(c2cccc(N[N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GRIK1 P39086 1/20 0.36
FBP1 P09467 1/20 0.36
ARNT P27540 1/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 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
SCHEMBL28208229 0.86 KIF11 (0.60) KIF11MAPTMEN1KMT2ALMNA
SCHEMBL4605709 0.75 MAPK1 (0.59) KIF11MAPTMEN1KMT2AMPO
SCHEMBL31290282 0.74 TSHR (0.57) KIF11MEN1KMT2ALMNAHTT
SCHEMBL8942683 0.74 TSHR (0.57) KIF11MEN1KMT2ALMNAHTT
SCHEMBL9761962 0.70 L3MBTL1 (0.61) MAPTMEN1KMT2ALMNAMPO
SCHEMBL11568356 0.69 MEN1 (0.46) MAPTMEN1KMT2ALMNATRPV1
SCHEMBL8030507 0.69 TSHR (0.52) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL399101 0.69 TRPV1 (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6199248 0.69 ALDH1A1 (0.52) MAPTMEN1KMT2ALMNAHTT
SCHEMBL8061244 0.69 ALDH1A1 (0.52) MAPTMEN1KMT2ALMNARAB9A

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-5120825-A Heat resistant hybrid HOECHST CELANESE CORP. (US) 1992-06-09 US disclosed