SCHEMBL13634639

SCHEMBL13634639

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN(C)C[C@@H]4CCCO4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ACACB O00763 5/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PIN1 Q13526 3/20 0.32
NAPEPLD Q6IQ20 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
SCHEMBL13634850 1.00 SCD (0.34) SCDSCD5SMN1; SMN2POLBTSHR
SCHEMBL13270769 0.87 ITK (0.36) SCDSCD5PIN1NAPEPLD
SCHEMBL13634767 0.85 SCD (0.37) SCDSCD5HPGDPIN1NAPEPLD
SCHEMBL13634852 0.85 HDAC1 (0.36) SCDSCD5KMT2APIN1NAPEPLD
SCHEMBL13634647 0.85 HDAC1 (0.36) SCDSCD5KMT2APIN1NAPEPLD
SCHEMBL13634927 0.83 CNR2 (0.36) SCDSCD5HPGDPIN1NAPEPLD
SCHEMBL13270650 0.83 MAPT (0.39) SCDSCD5TSHRKMT2AALDH1A1
SCHEMBL13634665 0.83 AXL (0.39) SMN1; SMN2POLBTSHRMAPK1ACACB
SCHEMBL13638833 0.83 GRM2 (0.39) SCDSCD5PIN1
SCHEMBL13634877 0.82 PDCD1 (0.35) SCDSCD5KMT2A

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