SCHEMBL9343000

SCHEMBL9343000

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
DUT P33316 2/20 0.52
POLA1 P09884 1/20 0.49
TYMP P19971 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 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
SCHEMBL8665070 0.85 KDM4E (0.62) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL6470562 0.85 KDM4E (0.62) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL17279165 0.85 KDM4E (0.62) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL8440176 0.85 KDM4E (0.64) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL8440184 0.85 KDM4E (0.64) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL25507075 0.85 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1
SCHEMBL264545 0.85 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1
SCHEMBL20346237 0.85 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1
SCHEMBL17676619 0.85 KDM4E (0.65) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL25504735 0.85 KDM4E (0.65) KDM4EPOLA1TYMPTAS1R3TAS1R1

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
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP disclosed