SCHEMBL9869841

SCHEMBL9869841

O=C(Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.35
VCAM1 P19320 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNMA1 Q12791 1/20 0.34
DHODH Q02127 1/20 0.34
POLB P06746 1/20 0.34
TTR P02766 1/20 0.33

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
SCHEMBL10363688 0.88 GPR35 (0.47) MAPK1ALDH1A1LMNAGAAHTT
SCHEMBL10362934 0.84 HTT (0.41) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL9869407 0.82 ADRA2A (0.44) MAPK1ALDH1A1LMNAGAAHTT
SCHEMBL10363088 0.79 ERN1 (0.41) MAPK1ALDH1A1GAAHTTHPGD
SCHEMBL10363095 0.78 APP (0.55) MAPK1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL10364667 0.77 HTT (0.36) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL10363111 0.77 NPSR1 (0.36) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL11461967 0.77 TSHR (0.43) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL11638792 0.77 MAPT (0.47) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL10363663 0.77 MAPK1 (0.47) TSHRMAPK1ALDH1A1LMNAGAA

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