SCHEMBL9536237

SCHEMBL9536237

CC(=O)Nc1nc2c(ncn2COC(CCP(=O)(O)O)C(Cc2ccccc2)(Cc2ccccc2)OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HPRT1 P00492 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PNP P00491 6/20 0.38
ALDH1A1 P00352 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
SCHEMBL9536276 1.00 MEN1 (0.46) MEN1TSHRKMT2AHPRT1TAS1R3
SCHEMBL9538573 0.94 MEN1 (0.49) MEN1TSHRKMT2AHPRT1TAS1R3
SCHEMBL9536211 0.77 MEN1 (0.49) MEN1TSHRKMT2AHPRT1TAS1R3
SCHEMBL9538547 0.75 MEN1 (0.49) MEN1TSHRKMT2AHPRT1TAS1R3
SCHEMBL9538160 0.75 HPRT1 (0.57) MEN1KMT2AHPRT1PNPALDH1A1
SCHEMBL9538178 0.75 HPRT1 (0.57) MEN1KMT2AHPRT1PNPALDH1A1
SCHEMBL9537021 0.74 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9537005 0.74 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9537009 0.74 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL6378699 0.73 MEN1 (0.58) MEN1TSHRKMT2AHPRT1TAS1R3

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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO claimed
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed