SCHEMBL9870322

SCHEMBL9870322

O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1(F)C(F)(F)C(F)(F)C(F)(OC(F)(F)F)C(F)(F)C1(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MAPT P10636 7/20 0.43
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PKM P14618 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10363066 0.92 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9869292 0.87 GAA (0.56) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10871764 0.85 GAA (0.50) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9869762 0.83 GAA (0.48) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9870547 0.83 GAA (0.52) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10362980 0.82 GAA (0.49) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10364460 0.76 ALDH1A1 (0.52) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9869467 0.74 MAPT (0.45) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9871280 0.73 MAPT (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10384154 0.73 KCNMA1 (0.41) GAAMAPTALDH1A1MEN1KMT2A

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 6 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-0201194-B1 DIABROTICA LARVICIDAL AGENTS ELI LILLY AND COMPANY (US) 1990-10-31 EP 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
EP-0201194-A2 Diabrotica larvicidal agents ELI LILLY AND COMPANY (US) 1986-11-12 EP disclosed