SCHEMBL8560086

SCHEMBL8560086

O=C(c1cncnc1C(F)(F)Cl)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
ELANE P08246 2/20 0.33
PDK2 Q15119 1/20 0.33
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MGLL Q99685 1/20 0.31
SYK P43405 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
SCHEMBL8558082 0.77 ALDH1A1 (0.34) ITGB1ITGA4MGLLSYK
SCHEMBL8566193 0.74 SYK (0.34) ITGB1ITGA4MGLLSYK
SCHEMBL8577610 0.73 PTPN1 (0.34) ITGB1ITGA4SYK
SCHEMBL8566575 0.72 ALDH1A1 (0.38) ITGB1ITGA4
SCHEMBL8565951 0.70 ADORA1 (0.44)
SCHEMBL1671209 0.66 ASPH (0.43) ITGB1ITGA4MGLLSYK
SCHEMBL8558949 0.66
SCHEMBL9949154 0.66 HTR2A (0.36)
SCHEMBL13784460 0.65 CYP11B1 (0.30) CYP11B2
SCHEMBL8176736 0.65

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