SCHEMBL13634911

SCHEMBL13634911

CCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
S1PR1 P21453 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F10 P00742 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NAPEPLD Q6IQ20 2/20 0.39
ACHE P22303 1/20 0.38
F2 P00734 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 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
SCHEMBL2772504 0.95 KMT2A (0.51) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13634867 0.90 DRD4 (0.40) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13634678 0.89 JAK2 (0.35) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13634668 0.86 F10 (0.37) KMT2AS1PR1MAPTMEN1ALDH1A1
SCHEMBL13634746 0.86 KMT2A (0.46) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13163174 0.85 KMT2A (0.39) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13162048 0.85 KMT2A (0.44) KMT2AS1PR1MAPTTSHRMEN1
SCHEMBL13638877 0.85 KMT2A (0.38) KMT2AMAPTTSHRMEN1ALDH1A1
SCHEMBL13634595 0.83 S1PR1 (0.49) S1PR1TSHRMAPK1
SCHEMBL13634662 0.83 IRAK4 (0.47) KMT2AMAPTTSHRF10L3MBTL1

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