SCHEMBL13638867

SCHEMBL13638867

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TAS1R3 Q7RTX0 3/20 0.51
TAS1R1 Q7RTX1 3/20 0.51
TAS1R2 Q8TE23 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 2/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL13638927 1.00 NPC1 (0.54) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL21935899 0.85 ALDH1A1 (0.44) TAS1R3TAS1R1TAS1R2SMN1; SMN2MEN1
SCHEMBL13162926 0.84 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13193072 0.84 NPC1 (0.59) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13634682 0.81 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13634496 0.81 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13164082 0.81 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13164086 0.81 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13164090 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13638984 0.79 TAS1R3 (0.79) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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