SCHEMBL44536

SCHEMBL44536

O=C(NC1CCCc2ccccc21)c1ccnc(-c2cc(F)ccc2[N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.61
TAS1R1 Q7RTX1 5/20 0.61
TAS1R2 Q8TE23 3/20 0.61
POLB P06746 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL44535 1.00 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL45239 0.87 POLB (0.54) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL45238 0.87 POLB (0.54) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL40139 0.86 POLB (0.53) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL40140 0.86 POLB (0.55) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL16924178 0.85 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL702165 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL702166 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL44803 0.75 TAS1R3 (0.65) TAS1R3TAS1R1TAS1R2POLBMEN1
SCHEMBL44802 0.75 TAS1R3 (0.65) TAS1R3TAS1R1TAS1R2POLBMEN1

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