SCHEMBL45474

SCHEMBL45474

Nc1ccc(C(F)(F)F)cc1-c1cc(C(=O)NC2CCCc3ccccc32)ccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TAS1R3 Q7RTX0 6/20 0.54
TAS1R1 Q7RTX1 6/20 0.54
TAS1R2 Q8TE23 3/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
DHODH Q02127 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CFD P00746 2/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL45473 1.00 HTT (0.55) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44802 0.86 TAS1R3 (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44803 0.86 TAS1R3 (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15432711 0.86 LMNA (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL16923854 0.85 PDE2A (0.50) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40433 0.84 ALDH1A1 (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40217 0.84 ALDH1A1 (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44987 0.83 KMT2A (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40131 0.83 CTSS (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40168 0.83 KMT2A (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 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