SCHEMBL8580209

SCHEMBL8580209

CC(C)(C)C(=O)c1cncnc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SYK P43405 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8566193 0.84 SYK (0.34) KDM4ESYK
SCHEMBL1012918 0.83 HCAR2 (0.39) DGAT1KDM4EMAPTTDP1
SCHEMBL22907602 0.81 SIRT3 (0.42) DGAT1SYKTDP1
SCHEMBL1012427 0.75 KDM4E (0.49) KDM4ENPC1MAPTNFKB1RAB9A
SCHEMBL8577797 0.73 TYK2 (0.40) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL8576768 0.73 ADORA1 (0.44) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31505058 0.70 DGAT1 (0.34) DGAT1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL8579235 0.69 CYP1A2 (0.42) KDM4ELMNACYP1A2CYP3A4
SCHEMBL13610835 0.69 HSD17B10 (0.47) KDM4ESYKSMN1; SMN2LMNACYP1A2
SCHEMBL13663613 0.69 HSD11B1 (0.47) SMN1; SMN2LMNA

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 2 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
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed