SCHEMBL8558079

SCHEMBL8558079

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
NFKB1 P19838 4/20 0.35
JUN P05412 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 4/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
XPO1 O14980 1/20 0.31

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
SCHEMBL8566197 0.82 NFKB1 (0.35) NFKB1JUNNFKB2RELAKEAP1
SCHEMBL8566570 0.80 TSHR (0.36) ALDH1A1KDM4EHPGDTDP1
SCHEMBL8577613 0.79 PTPN1 (0.33) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL8560094 0.78 P2RX7 (0.36)
SCHEMBL8565949 0.76 NR4A1 (0.41) ALDH1A1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL1320432 0.76 NFKB1 (0.49) POLBNFKB1JUNNFKB2RELA
SCHEMBL14667043 0.76 HSP90AA1 (0.41) POLBNFKB1JUNNFKB2RELA
SCHEMBL12123836 0.74 POLB (0.46) POLBNFKB1JUNNFKB2RELA
SCHEMBL26598773 0.73
SCHEMBL8566402 0.71 APLNR (0.33)

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 5 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
CN-1133589-A Novel pyrimidine derivative, herbicide and plant growth regulator NISSAN CHEMICAL IND LTD (JP) 1996-10-16 CN disclosed
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed