SCHEMBL9871280

SCHEMBL9871280

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
AURKA O14965 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
GMNN O75496 1/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LYN P07948 1/20 0.52

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
SCHEMBL10383485 1.00 MAPT (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9868953 0.89 PDK1 (0.56) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9869467 0.85 MAPT (0.45) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9869292 0.84 GAA (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9868900 0.84 KCNMA1 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10384154 0.84 KCNMA1 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10364662 0.84 MAPT (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10362692 0.82 GPR35 (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10364386 0.82 KMT2A (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9869407 0.82 ADRA2A (0.44) MAPTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US claimed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP claimed
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-0201194-A2 Diabrotica larvicidal agents ELI LILLY AND COMPANY (US) 1986-11-12 EP disclosed
EP-0201193-A2 Carboxanilides AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-11-12 EP disclosed