SCHEMBL17580836

SCHEMBL17580836

CCCCCNC(=O)c1nc(C(=O)NCCCCC)nc(C(=O)NCCCCC)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.54
EPHX1 P07099 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
CASP2 P42575 1/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
MLYCD O95822 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL30545066 0.98 EPHX1 (0.57) NAAAEPHX1L3MBTL1KDM4ECASP2
SCHEMBL2352832 0.94 TSHR (0.55) NAAAEPHX1L3MBTL1KDM4ETSHR
SCHEMBL17705861 0.85 POLB (0.47) EPHX1L3MBTL1KDM4ETSHRHTT
SCHEMBL17580570 0.81 HTT (0.51) NAAAEPHX1L3MBTL1KDM4ETSHR
SCHEMBL10479265 0.80 NAAA (0.59) NAAAEPHX1L3MBTL1KDM4ETSHR
SCHEMBL31467551 0.78 EPHX1 (0.64) NAAAEPHX1L3MBTL1HTTCASP2
SCHEMBL13263618 0.77 NAAA (0.49) NAAAEPHX1L3MBTL1KDM4ETSHR
SCHEMBL10780680 0.76 NAAA (0.51) NAAAEPHX1L3MBTL1KDM4EHPGD
SCHEMBL377245 0.75 EPHX1 (0.54) NAAAEPHX1L3MBTL1KDM4ETSHR
SCHEMBL9979205 0.75 SMN1; SMN2 (0.70) NAAAEPHX1L3MBTL1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191460-B1 PROCESS FOR THE PREPARATION OF TRIAZINE CARBAMATES ALLNEX NETHERLANDS BV (NL) 2020-01-29 EP disclosed
US-10071972-B2 Process for the preparation of triazine carbamates ALLNEX NETHERLANDS B.V. (NL) 2018-09-11 US disclosed
US-20170233353-A1 PROCESS FOR THE PREPARATION OF TRIAZINE CARBAMATES ALLNEX IP S.À.R.L. (LU) 2017-08-17 US disclosed
EP-3191460-A1 PROCESS FOR THE PREPARATION OF TRIAZINE CARBAMATES Allnex IP S.à.r.l. (LU) 2017-07-19 EP disclosed
WO-2016037973-A1 PROCESS FOR THE PREPARATION OF TRIAZINE CARBAMATES ALLNEX IP S.À.R.L. (LU) 2016-03-17 WO disclosed
EP-2995613-A1 Process for the preparation of triazine carbamates Allnex IP S.à.r.l. (LU) 2016-03-16 EP disclosed