SCHEMBL9869467

SCHEMBL9869467

O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GPR35 Q9HC97 1/20 0.44
HIF1A Q16665 1/20 0.44
GFER P55789 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL10363527 0.95 MAPT (0.41) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10362692 0.89 GPR35 (0.44) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9869292 0.85 GAA (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10364662 0.85 MAPT (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9868900 0.85 KCNMA1 (0.41) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10363566 0.85 ALDH1A1 (0.59) MAPTKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9871280 0.85 MAPT (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10384154 0.85 KCNMA1 (0.41) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10383485 0.85 MAPT (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10363095 0.85 APP (0.55) MAPTMEN1KMT2AMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US disclosed
EP-0201193-B1 CARBOXANILIDES AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-24 EP disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
EP-0201193-A2 Carboxanilides AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-11-12 EP disclosed