SCHEMBL13634661

SCHEMBL13634661

CCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CC[C@H](F)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
F10 P00742 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
PDE4B Q07343 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2772043 0.93 KMT2A (0.48) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13634662 0.91 IRAK4 (0.47) MAPTTSHRF10IRAK4KMT2A
SCHEMBL13634884 0.91 S1PR1 (0.40) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13634866 0.89 IRAK4 (0.39) IRAK4DRD4KMT2A
SCHEMBL13634886 0.88 ACKR3 (0.38) F10DRD4
SCHEMBL13634740 0.88 MAPT (0.41) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13638912 0.85 KMT2A (0.47) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13270650 0.84 MAPT (0.39) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13634540 0.84 S1PR1 (0.40) S1PR1MAPTTSHRF10IRAK4
SCHEMBL13634573 0.83 KMT2A (0.42) IRAK4KMT2AMEN1ALDH1A1CYP1A2

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