SCHEMBL16355236

SCHEMBL16355236

CCN(CC)c1ccc(NC(=O)c2cccc(Cn3ccc4c(C(=O)NCCOCCC(=O)O)cccc43)c2)c(-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CFD P00746 2/20 0.35
BDKRB1 P46663 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CYP2C9 P11712 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
SCHEMBL16804647 1.00 SLC34A2 (0.48) SLC34A2KDM4EALDH1A1HPGDKMT2A
SCHEMBL18471348 0.99 SLC34A2 (0.49) SLC34A2KDM4EALDH1A1HPGDKMT2A
SCHEMBL15432815 0.91 SLC34A2 (0.46) SLC34A2KDM4EALDH1A1HPGDKMT2A
SCHEMBL16355234 0.89 BDKRB1 (0.39) SLC34A2LMNACFDBDKRB1DHODH
SCHEMBL19596363 0.89 BDKRB1 (0.39) SLC34A2LMNACFDBDKRB1DHODH
SCHEMBL6000159 0.89 CFD (0.40) SLC34A2KDM4EALDH1A1HPGDKMT2A
SCHEMBL15432811 0.89 BDKRB1 (0.38) SLC34A2LMNACFDBDKRB1DHODH
SCHEMBL16804646 0.89 BDKRB1 (0.38) SLC34A2LMNACFDBDKRB1DHODH
SCHEMBL18482341 0.88 SLC34A2 (0.41) SLC34A2KDM4EALDH1A1HPGDKMT2A
SCHEMBL47757 0.85 SLC34A2 (0.54) SLC34A2KDM4EALDH1A1HPGDKMT2A

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
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed