SCHEMBL13634352

SCHEMBL13634352

CCCNC(=O)c1cc(CN)c(C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.39
DPP4 P27487 2/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
KCNA5 P22460 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13162817 0.90 CA12 (0.39) CCR2ACHEBACE1L3MBTL1POLB
SCHEMBL13634231 0.81 CNR2 (0.50) ACHEBACE1CNR2
SCHEMBL13634354 0.80 CCR2 (0.45) CCR2ACHEBACE1L3MBTL1POLB
SCHEMBL2771166 0.75 MAPK1 (0.42) L3MBTL1POLBALDH1A1HPGD
SCHEMBL2062569 0.74 L3MBTL1 (0.60) KCNA5L3MBTL1POLBRXFP1ALDH1A1
SCHEMBL13162811 0.72 KMT2A (0.48) TDP1CNR2
SCHEMBL31432123 0.71 KCNA5 (0.40) ACHEBACE1KCNA5L3MBTL1POLB
SCHEMBL2916493 0.71 L3MBTL1 (0.55) KCNA5L3MBTL1POLBRXFP1ALDH1A1
SCHEMBL24516604 0.70 P2RX7 (0.37) CCR2ACHEBACE1RXFP1
SCHEMBL30288828 0.70 P2RX7 (0.37) CCR2ACHEBACE1RXFP1

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