SCHEMBL9870871

SCHEMBL9870871

O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.48
PDK2 Q15119 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
ALDH1A1 P00352 2/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
GPR35 Q9HC97 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HSD11B1 P28845 1/20 0.40
P2RX1 P51575 1/20 0.39
RORC P51449 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10420192 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420560 0.80 PDK1 (0.46) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420550 0.78 PDK1 (0.76) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7520916 0.76 KMT2A (0.55) ALDH1A1GPR35RORCKMT2ARAB9A
SCHEMBL9869447 0.74 PDK1 (0.49) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10421837 0.73 VCAM1 (0.38) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10420551 0.73 KMT2A (0.61) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL9825041 0.73 ALDH1A1 (0.48) ALDH1A1ADRA2AADRA2BADRA2CGPR35
SCHEMBL10421023 0.72 AR (0.52) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL8554495 0.72 ALDH1A1 (0.47) ALDH1A1ADRA2AADRA2BADRA2CGPR35

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