SCHEMBL22830405

SCHEMBL22830405

Cc1cccc2c1nc1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ HTT P42858 5/20 0.68
▸ USP2 O75604 4/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ HAT1 O14929 4/20 0.68
▸ RBBP7 Q16576 4/20 0.68
▸ CASP1 P29466 2/20 0.68
▸ BRCA1 P38398 2/20 0.68
▸ RECQL P46063 2/20 0.68
▸ CASP7 P55210 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ TST Q16762 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ HBB P68871 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68

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
SCHEMBL30176237 0.88 MEN1 (0.68) MEN1KMT2AHTTUSP2KDM4E
SCHEMBL23965851 0.84 MEN1 (0.72) MEN1KMT2AHTTUSP2KDM4E
SCHEMBL29457737 0.84 MEN1 (0.72) MEN1KMT2AHTTUSP2KDM4E
SCHEMBL20506804 0.82 MEN1 (0.71) MEN1KMT2AHTTUSP2KDM4E
SCHEMBL3387885 0.81 MEN1 (0.45) MEN1KMT2AHTTUSP2KDM4E
Riboflavin SCHEMBL5899262 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2KDM4E
Riboflavin SCHEMBL12979917 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2KDM4E
Riboflavin SCHEMBL9609755 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2KDM4E
Riboflavin SCHEMBL7706 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2KDM4E
Riboflavin SCHEMBL2420598 0.81 MEN1 (1.00) MEN1KMT2AHTTUSP2KDM4E

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-20200405858-A1 MODULATION OF BIOPHOTONIC REGIMENS ROSSI GIACOMO (IT) 2020-12-31 — — US disclosed
Send feedback