SCHEMBL13634889

SCHEMBL13634889

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4)cc3C(=O)O)cs2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.41
F10 P00742 1/20 0.40
S1PR1 P21453 1/20 0.39

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
SCHEMBL13270655 0.94 ACHE (0.41) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13634785 0.94 MAPK1 (0.43) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13162740 0.92 CHEK1 (0.39) ACHE
SCHEMBL13634734 0.90 KMT2A (0.41) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13634758 0.90 KMT2A (0.41) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL2772472 0.90 KMT2A (0.49) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13634740 0.90 MAPT (0.41) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13634851 0.90 PDE4B (0.44) KMT2AF10
SCHEMBL13270599 0.89 MAPT (0.41) ACHEIRAK4KMT2AMAPTTSHR
SCHEMBL13634936 0.88 IRAK4 (0.41) IRAK4KMT2AOPRK1

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