SCHEMBL8566197

SCHEMBL8566197

CC(C)(C)C(=O)c1cnc(C(F)F)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.35
JUN P05412 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
ATF1 P18846 1/20 0.32
XPO1 O14980 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL8558079 0.82 POLB (0.35) NFKB1JUNNFKB2RELAATF1
SCHEMBL8566570 0.76 TSHR (0.36)
SCHEMBL8577613 0.75 PTPN1 (0.33) NFKB1JUNNFKB2RELAKEAP1
SCHEMBL8560094 0.74 P2RX7 (0.36)
SCHEMBL8565949 0.73 NR4A1 (0.41)
SCHEMBL8577563 0.72
SCHEMBL8561982 0.71
SCHEMBL26598773 0.69
SCHEMBL8566402 0.68 APLNR (0.33)
SCHEMBL8562182 0.67 ALDH1A1 (0.40) NFKB1JUNNFKB2RELAATF1

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-5773388-A Pyrimidine derivatives, herbicides and plant growth regulators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-30 US disclosed
US-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed