SCHEMBL6000130

SCHEMBL6000130

CCN(CC)c1ccc(NC(=O)c2cccc(CS)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 3/20 0.47
LMNA P02545 2/20 0.47
CFD P00746 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SLC34A2 O95436 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5998996 0.94 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL15432767 0.94 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL40121 0.92 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL40772 0.92 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL16355253 0.91 LMNA (0.60) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL2720613 0.88 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL16804659 0.88 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL2720610 0.88 SLC34A2 (0.47) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL19595510 0.88 SLC34A2 (0.54) TAS1R3TAS1R1TAS1R2LMNACFD
SCHEMBL6000345 0.88 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2LMNACFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed