SCHEMBL27872121

SCHEMBL27872121

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN3CCNCC3)c2cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
IDO1 P14902 1/20 0.53
HAT1 O14929 4/20 0.48
RBBP7 Q16576 4/20 0.48
KAT7 O95251 1/20 0.48
EP300 Q09472 1/20 0.48
CREBBP Q92793 1/20 0.48
RECQL P46063 3/20 0.46
CASP1 P29466 2/20 0.46
BRCA1 P38398 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TST Q16762 2/20 0.46

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
SCHEMBL27872112 0.92 MEN1 (0.62) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL1048676 0.85 MEN1 (0.52) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12958600 0.83 MEN1 (0.57) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12958547 0.83 MEN1 (0.64) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864331 0.82 MEN1 (0.57) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12959299 0.82 MEN1 (0.63) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL1051294 0.82 MEN1 (0.54) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864700 0.78 HAT1 (0.53) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL12288699 0.78 HAT1 (0.56) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL1050977 0.78 MEN1 (0.59) 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