SCHEMBL9869248

SCHEMBL9869248

Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.46
PDK2 Q15119 4/20 0.46
PDK3 Q15120 4/20 0.46
PDK4 Q16654 4/20 0.46
LMNA P02545 3/20 0.42
SLC9A1 P19634 1/20 0.42
CXCR2 P25025 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
AR P10275 1/20 0.38
S1PR4 O95977 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
SCHEMBL9869447 0.88 PDK1 (0.49) PDK1PDK2PDK3PDK4LMNA
SCHEMBL2972082 0.80 SLC9A1 (0.60) LMNASLC9A1CXCR2MAPTKMT2A
SCHEMBL10421023 0.76 AR (0.52) LMNAMAPTMEN1KMT2APOLB
SCHEMBL10420241 0.76 MAPT (0.57) PDK1PDK2PDK3PDK4LMNA
SCHEMBL9869459 0.75 LMNA (0.41) LMNASLC9A1CXCR2MAPTMEN1
SCHEMBL10579855 0.75 CXCR2 (0.56) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27941949 0.75 SLC9A1 (0.60) LMNASLC9A1CXCR2MAPTKMT2A
SCHEMBL1455497 0.74 POLB (0.60) LMNACXCR2MAPTMEN1KMT2A
SCHEMBL21723290 0.74 LMNA (0.45) LMNASLC9A1CXCR2MAPTMEN1
SCHEMBL10744542 0.73 PDK1 (0.48) PDK1PDK2PDK3PDK4LMNA

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-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
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 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