SCHEMBL19362146

SCHEMBL19362146

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@]3(CO)CO[C@H]2C3OP2OC(c3ccccc3)C3CCCN32)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NOS1 P29475 1/20 0.30

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
SCHEMBL26840474 0.95 KDM4E (0.38) KDM4EADORA3TAS1R3TAS1R1ALDH1A1
SCHEMBL22408779 0.88 TYMP (0.36) KDM4E
SCHEMBL22408780 0.88 TYMP (0.36) KDM4E
SCHEMBL1408652 0.82 KDM4E (0.47) KDM4EADORA3TAS1R3TAS1R1ALDH1A1
SCHEMBL19604056 0.81 KDM4E (0.44) KDM4ETAS1R3TAS1R1ALDH1A1TAAR1
SCHEMBL19631499 0.81 ADORA3 (0.43) ADORA3
SCHEMBL19628261 0.79 KDM4E (0.46) KDM4ETAS1R3TAS1R1ALDH1A1TAAR1
SCHEMBL19628246 0.79 KDM4E (0.46) KDM4ETAS1R3TAS1R1ALDH1A1TAAR1
SCHEMBL22408784 0.79 TYMP (0.37) KDM4ETAS1R3TAS1R1
SCHEMBL22408783 0.79 TYMP (0.37) KDM4ETAS1R3TAS1R1

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-2017157672-A1 ACYL-PROTECTED L-LNA-GUANOSINE MONOMERS ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2017-09-21 — — WO disclosed
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