SCHEMBL13638898

SCHEMBL13638898

Cc1ccccc1C(=O)N[C@H]1CCC[C@H]1C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.74
TAS1R1 Q7RTX1 11/20 0.74
TAS1R2 Q8TE23 10/20 0.74
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL4176567 0.97 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13638984 0.97 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL15983801 0.87 NPC1 (0.73) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL704631 0.85 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13193072 0.84 NPC1 (0.59) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL700898 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL13162940 0.82 NPC1 (0.66) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13634479 0.81 NPC1 (0.57) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL15888592 0.81 NPC1 (0.57) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13162641 0.81 NPC1 (0.90) NPC1RAB9AALDH1A1LMNANPSR1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed