SCHEMBL22830404

SCHEMBL22830404

Cn1c(=O)nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3ccccc3nc-2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 8/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ USP2 O75604 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALPL P05186 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CASP7 P55210 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ BRCA1 P38398 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HAT1 O14929 2/20 0.48
▸ RBBP7 Q16576 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48

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
SCHEMBL3387885 0.85 MEN1 (0.45) GSRMEN1USP2KMT2AALPL
SCHEMBL11306203 0.81 GSR (0.61) GSRMEN1KMT2APOLBCASP7
SCHEMBL10250552 0.80 KMT2A (0.51) GSRMEN1USP2KMT2AALPL
SCHEMBL29457737 0.79 MEN1 (0.72) GSRMEN1USP2KMT2AALPL
SCHEMBL23965851 0.79 MEN1 (0.72) GSRMEN1USP2KMT2AALPL
SCHEMBL10250398 0.78 MEN1 (0.53) GSRMEN1USP2KMT2AALPL
SCHEMBL10250554 0.77 KMT2A (0.46) GSRMEN1USP2KMT2AALPL
SCHEMBL30935958 0.74 MEN1 (0.67) GSRMEN1USP2KMT2AALPL
SCHEMBL31481986 0.73 MEN1 (0.66) MEN1USP2KMT2AALPLPOLB
SCHEMBL26110100 0.73 CASP1 (0.47) MEN1USP2KMT2AALPLPOLB

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
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