SCHEMBL13634757

SCHEMBL13634757

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
F10 P00742 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PDE4B Q07343 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL13270599 0.96 MAPT (0.41) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL13270650 0.95 MAPT (0.39) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL13634654 0.93 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13634740 0.92 MAPT (0.41) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL2772472 0.92 KMT2A (0.49) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL13638999 0.89 KMT2A (0.43) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL13634559 0.88 ALDH1A1 (0.41) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13634785 0.88 MAPK1 (0.43) MAPTTSHRKMT2AF10IRAK4
SCHEMBL13634889 0.88 ACHE (0.42) MAPTTSHRKMT2AF10IRAK4
SCHEMBL13638833 0.88 GRM2 (0.39)

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