SCHEMBL27872115

SCHEMBL27872115

[CH2]Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(N)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
USP2 O75604 7/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPT P10636 5/20 0.55
HTT P42858 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
RXFP1 Q9HBX9 2/20 0.55
IDO1 P14902 1/20 0.55
HAT1 O14929 4/20 0.53
RBBP7 Q16576 4/20 0.53
RECQL P46063 3/20 0.53
CASP7 P55210 3/20 0.53
CASP1 P29466 2/20 0.53
BRCA1 P38398 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TST Q16762 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL864382 0.90 KMT2A (0.65) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL9022677 0.82 MEN1 (0.69) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL13496304 0.80 MEN1 (0.85) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12286943 0.80 MEN1 (0.52) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL863623 0.80 MEN1 (0.85) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864292 0.80 MEN1 (0.85) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL14668006 0.80 MEN1 (0.52) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12287301 0.78 MEN1 (0.50) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864193 0.78 MEN1 (0.69) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL14502896 0.77 KMT2A (0.69) MEN1KMT2AUSP2KDM4EMAPT

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
CN-102471283-A Flavin derivatives BIORELIX INC 2012-05-23 CN disclosed