SCHEMBL23905513

SCHEMBL23905513

COC(=O)c1cc(OC)c2nc(CO)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CNR2 P34972 1/20 0.37
HDAC1 Q13547 1/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL20094719 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL23905466 0.88 CA12 (0.45) ALDH1A1KMT2AMAPTPKMMEN1
SCHEMBL23905898 0.85 RAB9A (0.38) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL20094718 0.82 RAB9A (0.48) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL20031462 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL23195652 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL642545 0.81 CYP3A4 (0.50) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL9951657 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL20094461 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTPKM
SCHEMBL19202342 0.80 KMT2A (0.48) ALDH1A1KDM4EKMT2AMAPTPKM

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed