SCHEMBL13634845

SCHEMBL13634845

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
P4HTM Q9NXG6 1/20 0.41
PTGFR P43088 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
LRRK2 Q5S007 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
ABCB1 P08183 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
MEN1 O00255 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
SCHEMBL13634600 0.92 IRAK4 (0.42) PYGLIRAK4KDM4EALDH1A1MAPT
SCHEMBL13634688 0.85 MAP3K7 (0.53) IRAK4LRRK2
SCHEMBL3551333 0.77 ALDH1A1 (0.41) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL13634763 0.77 F10 (0.38) IRAK4KDM4EALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL2077470 0.76 ALDH1A1 (0.40) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2774000 0.76 POLB (0.49) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL13270464 0.74 PTGES (0.37) IRAK4KDM4EALDH1A1LMNARAB9A
SCHEMBL13634668 0.73 F10 (0.37) IRAK4KDM4EALDH1A1MAPTLMNA
SCHEMBL13634893 0.73 ADORA2A (0.38)
SCHEMBL18674616 0.72 RAB9A (0.41) KDM4EALDH1A1MAPTLMNARAB9A

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