SCHEMBL9869447

SCHEMBL9869447

O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.49
PDK2 Q15119 6/20 0.49
PDK3 Q15120 6/20 0.49
PDK4 Q16654 6/20 0.49
CXCR2 P25025 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC9A1 P19634 1/20 0.39
ALDH1A1 P00352 2/20 0.39
VCAM1 P19320 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ABCC9 O60706 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
SCHEMBL9869248 0.88 PDK1 (0.46) PDK1PDK2PDK3PDK4CXCR2
SCHEMBL10744542 0.82 PDK1 (0.48) PDK1PDK2PDK3PDK4CXCR2
SCHEMBL10420238 0.81 PDK1 (0.46) PDK1PDK2PDK3PDK4
SCHEMBL10420192 0.79 PDK1 (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL10420550 0.79 PDK1 (0.76) PDK1PDK2PDK3PDK4MAPT
SCHEMBL10421023 0.79 AR (0.52) MAPTMEN1LMNAKMT2APOLB
SCHEMBL10579855 0.78 CXCR2 (0.56) PDK1PDK2PDK3PDK4CXCR2
SCHEMBL6354726 0.77 SLC9A1 (0.59) CXCR2MAPTLMNAKMT2APOLB
SCHEMBL10420552 0.75 PDK1 (0.44) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9870968 0.74 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPT

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 12 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
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US claimed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 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
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US disclosed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
EP-0197756-A2 Alkanoyl anilides ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0197451-A2 Energy submetering system HONEYWELL INC. (US) 1986-10-15 EP disclosed