SCHEMBL7941648

SCHEMBL7941648

CN1C(=O)c2cc(N)c(N)c(N)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 2/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CASP3 P42574 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
APP P05067 6/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL441644 0.78 MEN1 (0.47) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL23934280 0.78 MEN1 (0.41) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL17316947 0.76 MEN1 (0.40) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL11553071 0.74 MEN1 (0.50) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL9400286 0.72 ALDH1A1 (0.36) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL9400279 0.69 APP (0.42) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL2036747 0.69 MEN1 (0.58) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL4870220 0.69 APP (0.42) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL17429229 0.69 MEN1 (0.41) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL23934207 0.69 THRB (0.50) MEN1KMT2AUSP2ATMKEAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191307-B1 Process for making benzoic acids ALBEMARLE CORPORATION 2001-02-20 US disclosed