SCHEMBL8665070

SCHEMBL8665070

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
POLA1 P09884 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TYMP P19971 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17279165 1.00 KDM4E (0.62) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL6470562 1.00 KDM4E (0.62) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL16609224 0.92 KDM4E (0.56) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL17279179 0.89 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL7517850 0.89 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL16609168 0.88 KDM4E (0.52) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL9343000 0.85 KDM4E (0.57) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL16609179 0.84 KDM4E (0.48) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL8667140 0.83 KDM4E (0.49) KDM4EPOLA1TAS1R3TAS1R1TYMP
SCHEMBL22702575 0.83 KDM4E (0.49) KDM4EPOLA1TAS1R3TAS1R1TYMP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882059-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1998-12-09 EP disclosed
WO-1997031009-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3'→P5' PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1997-08-28 WO disclosed