SCHEMBL2229856

SCHEMBL2229856

O=[C]CNC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
P2RX7 Q99572 8/20 0.52
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
GPR139 Q6DWJ6 1/20 0.52
TSHR P16473 1/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
JAK2 O60674 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
F2R P25116 1/20 0.48

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
SCHEMBL28214367 0.86 HPGD (0.61) P2RX7SIGMAR1GPR139HPGDLMNA
SCHEMBL4158170 0.83 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL9491955 0.81 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL5529489 0.80 HPGD (0.62) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL11570780 0.79 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL6292861 0.78 P2RX7 (0.57) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL6292862 0.78 TMEM97 (0.58) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL8743573 0.78 GPR139 (0.60) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL4143751 0.77 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2P2RX7TMEM97
SCHEMBL4384455 0.77 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2P2RX7TMEM97

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
WO-2011090940-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-07-28 WO disclosed