SCHEMBL13634600

SCHEMBL13634600

COCCN(C)c1nc(C(=O)Nc2ccc(C(=O)OC)cc2OC)cs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
PYGL P06737 1/20 0.40
ABCB1 P08183 1/20 0.39
NPC1 O15118 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13634845 0.92 PYGL (0.42) IRAK4ALDH1A1KDM4ELMNANPSR1
SCHEMBL13634688 0.85 MAP3K7 (0.53) IRAK4LRRK2
SCHEMBL13634763 0.80 F10 (0.38) IRAK4ALDH1A1HPGDKDM4EPOLB
SCHEMBL2774000 0.80 POLB (0.49) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL13270464 0.77 PTGES (0.37) IRAK4ALDH1A1KDM4EPOLBLMNA
SCHEMBL13634668 0.75 F10 (0.37) IRAK4ALDH1A1HPGDKDM4ELMNA
SCHEMBL13270438 0.73 ADORA2A (0.38) POLB
SCHEMBL18674616 0.72 RAB9A (0.41) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL3551333 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL13634788 0.72 S1PR1 (0.48) POLB

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