SCHEMBL28079468

SCHEMBL28079468

C=CN(C(=O)NCCCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
NAAA Q02083 2/20 0.44
EGFR P00533 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX1 P07099 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1269408 0.82 NAAA (0.51) HTTGAAMAPTALOX12CRHBP
SCHEMBL10492069 0.80 HTT (0.54) HTTGAAMAPTALOX12CRHBP
SCHEMBL3482860 0.78 LTB4R2 (0.56) HTTGAAMAPTALOX12CRHBP
SCHEMBL28267825 0.78 HTT (0.49) HTTGAAMAPTALOX12CRHBP
SCHEMBL18746216 0.77 MEN1 (0.59) HTTGAAMAPTALOX12CRHBP
SCHEMBL6962150 0.77 PTGES (0.42) HTTGAAMAPTALOX12CRHBP
SCHEMBL28079594 0.77 HTT (0.48) HTTGAAMAPTALOX12CRHBP
SCHEMBL9475341 0.76 HDAC6 (0.62) HTTGAAMAPTALOX12CRHBP
SCHEMBL27652283 0.75 NAAA (0.57) HTTGAAMAPTALOX12CRHBP
SCHEMBL28267886 0.75 LTB4R2 (0.50) HTTGAAMAPTALOX12CRHBP

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
CN-105801864-A Synthesis method for preparing alternating organic silicon polymers at low temperature 北京化工大学 2016-07-27 CN disclosed