SCHEMBL22020398

SCHEMBL22020398

CNCCCCC(NC=O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.34
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH4 P08319 1/20 0.33
▸ ADH7 P40394 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ ALB P02768 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ GNAI3 P08754 1/20 0.30
▸ GNAO1 P09471 1/20 0.30
▸ GNAI1 P63096 1/20 0.30
▸ PAOX Q6QHF9 1/20 0.30

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
SCHEMBL29330934 0.84 CPB2 (0.39) KISS1RADH1BADH1CADH1AADH4
SCHEMBL26684412 0.83 ADH1B (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14947854 0.83 KISS1R (0.38) KISS1RADH1BADH1CADH1AADH4
SCHEMBL12743605 0.82 KISS1R (0.38) KISS1RSIRT5CPB2ALBDPP7
SCHEMBL12216516 0.82 KISS1R (0.38) KISS1RSIRT5CPB2ALBDPP7
SCHEMBL9547605 0.80 KISS1R (0.37) KISS1RSIRT5CPB2ALBSIRT6
SCHEMBL18105654 0.80 GSR (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13218612 0.80 GSR (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13907817 0.79 KISS1R (0.36) KISS1RSIRT5CPB2ALBSIRT6
SCHEMBL21975039 0.78 SIRT6 (0.39) KISS1RADH1BADH1CADH1AADH4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021097183-A1 DEVICE AND METHOD FOR ANALYTE DETECTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-20 — — WO disclosed
WO-2020102660-A1 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES, SUCH AS HISTAMINE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-05-22 — — WO disclosed
US-20160248025-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-08-25 — — US disclosed
Send feedback