SCHEMBL8560094

SCHEMBL8560094

O=C(c1cnc(C(F)F)nc1Cl)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
MELK Q14680 11/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ABL1 P00519 1/20 0.31
RIPK1 Q13546 1/20 0.31
GRM1 Q13255 1/20 0.30
CYP11B2 P19099 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 0.78 POLB (0.35)
SCHEMBL8577613 0.74 PTPN1 (0.33) P2RX7
SCHEMBL8566197 0.74 NFKB1 (0.35)
SCHEMBL15549219 0.73 KMT2A (0.45)
SCHEMBL8566570 0.72 TSHR (0.36)
SCHEMBL8565949 0.72 NR4A1 (0.41)
SCHEMBL8562383 0.69 IDO1 (0.33) CYP11B2
SCHEMBL26598773 0.68
SCHEMBL8558953 0.67
SCHEMBL17439562 0.66 MELK (0.39) MELKABL1

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