SCHEMBL6638566

SCHEMBL6638566

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cnccc3OCc3ccccc3)c([N+](=O)[O-])cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 3/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ABCB1 P08183 1/20 0.33
POLB P06746 1/20 0.33
PIN1 Q13526 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
BCAT1 P54687 1/20 0.32
MET P08581 2/20 0.32

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
SCHEMBL1527273 0.91 HTR1A (0.37) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL6639038 0.88 MEN1 (0.35) CYP11B1CYP11B2CYP19A1MEN1KMT2A
SCHEMBL6637835 0.88 CYP19A1 (0.35) CYP11B1CYP11B2CYP19A1GPBAR1BCAT1
SCHEMBL7228060 0.86 MEN1 (0.42) CTSVCTSLMEN1NPC1RAB9A
SCHEMBL3261623 0.84 CTSV (0.35) CYP19A1CTSVCTSLMEN1NPC1
SCHEMBL7234402 0.84 TRIM24 (0.40) CTSVCTSLMEN1NPC1RAB9A
SCHEMBL3248247 0.81 ALDH1A1 (0.37) MEN1KMT2AATMPOLBBCAT1
SCHEMBL14639555 0.81 BCAT1 (0.36) MEN1KMT2ABCAT1
SCHEMBL3261624 0.80 HTR1A (0.36) CYP19A1CTSVCTSLMEN1NPC1
SCHEMBL27044946 0.80 ALDH1A1 (0.37) MEN1KMT2AATMPOLBBCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed