SCHEMBL19662704

SCHEMBL19662704

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@@H](OCSSC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.75
▸ POLA1 P09884 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ P2RY1 P47900 1/20 0.34

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
SCHEMBL19662708 1.00 KDM4E (0.75) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL21787191 0.91 KDM4E (0.62) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL21538044 0.88 KDM4E (0.81) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL22315215 0.86 KDM4E (0.74) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL9703289 0.86 KDM4E (0.74) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL30057780 0.85 KDM4E (1.00) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL23225351 0.85 KDM4E (0.77) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL24822974 0.85 KDM4E (0.62) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL21538041 0.84 KDM4E (0.75) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL18671307 0.83 KDM4E (0.63) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1

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-2017205336-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-30 — — WO disclosed
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