Riboflavin

Riboflavin

SCHEMBL6662783

CCCC(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C.O=[N+]([O-])O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Riboflavin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.75
KMT2A Q03164 7/20 0.75
TDP1 Q9NUW8 5/20 0.75
USP2 O75604 4/20 0.75
KDM4E B2RXH2 4/20 0.75
HAT1 O14929 4/20 0.75
RBBP7 Q16576 4/20 0.75
HTT P42858 4/20 0.75
RECQL P46063 3/20 0.75
CASP7 P55210 3/20 0.75
MAPT P10636 3/20 0.75
CASP1 P29466 2/20 0.75
BRCA1 P38398 2/20 0.75
HSD17B10 Q99714 2/20 0.75
TST Q16762 2/20 0.75
ALDH1A1 P00352 2/20 0.75
LMNA P02545 1/20 0.75
HBB P68871 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75

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
Riboflavin SCHEMBL182060 0.95 MEN1 (0.84) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL232228 0.95 MEN1 (0.84) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL27497064 0.94 MEN1 (0.82) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL9715854 0.92 MEN1 (0.89) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL5991517 0.91 MEN1 (0.89) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL5991520 0.91 MEN1 (0.89) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL27764351 0.90 MEN1 (0.81) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL27781309 0.90 MEN1 (0.81) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL2800233 0.89 MEN1 (0.89) MEN1KMT2ATDP1USP2KDM4E
Riboflavin SCHEMBL2800236 0.89 MEN1 (0.89) MEN1KMT2ATDP1USP2KDM4E

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
JP-2004315439-A LIQUID COMPOSITION FOR INTERNAL USE CONTAINING IRON COMPOUND TAISHO PHARMACEUT CO LTD 2004-11-11 JP disclosed