SCHEMBL46792

SCHEMBL46792

CCNc1ccc(NC(=O)c2cccc(C(=O)N(C)CC=O)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TAS1R2 Q8TE23 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CFD P00746 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL16355238 0.90 ALDH1A1 (0.45) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL6001113 0.90 ALDH1A1 (0.45) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL46886 0.87 TAOK1 (0.44) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40061 0.87 TAOK1 (0.44) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL44981 0.83 ALDH1A1 (0.46) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL6000345 0.83 ALDH1A1 (0.46) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40772 0.79 TAS1R3 (0.50) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL40121 0.79 TAS1R3 (0.50) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL19595942 0.79 ALDH1A1 (0.41) LMNAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL2719736 0.79 TAOK1 (0.44) LMNAKMT2AMEN1TAS1R3TAS1R1

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-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