SCHEMBL13634665

SCHEMBL13634665

COCCNC(=O)c1cc(CN(C)CC2CCCO2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.39
MAPK1 P28482 3/20 0.38
GLA P06280 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
TYK2 P29597 1/20 0.34
MAPT P10636 2/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
FGFR1 P11362 1/20 0.32

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
SCHEMBL13634591 0.92 ALDH1A1 (0.36) MAPK1POLBSMN1; SMN2TSHROPRK1
SCHEMBL13638817 0.89 CYP2C9 (0.35) OPRK1KMT2AIRAK4FGFR1
SCHEMBL13638896 0.86 GPR6 (0.35) OPRK1KMT2AIRAK4FGFR1
SCHEMBL13634599 0.85 GPR6 (0.37) OPRK1KMT2A
SCHEMBL13638926 0.85 GPR6 (0.37) OPRK1KMT2A
SCHEMBL13634684 0.84 MCHR1 (0.39) IRAK4FGFR1
SCHEMBL2770473 0.84 KMT2A (0.44) TSHROPRK1KMT2AMAPTIRAK4
SCHEMBL13638823 0.84 DRD4 (0.41) AXLKMT2A
SCHEMBL13638818 0.84 DRD4 (0.41) AXLKMT2A
SCHEMBL13638933 0.83 MCHR1 (0.39) KMT2A

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