SCHEMBL10862008

SCHEMBL10862008

COC(=O)C(c1ccccc1)N1CN(C(C(=O)OC)c2ccccc2)CN(C(C(=O)OC)c2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
LMNA P02545 2/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
OPRM1 P35372 1/20 0.62
OPRK1 P41145 1/20 0.62
OPRL1 P41146 1/20 0.62
NPY2R P49146 6/20 0.50
GAA P10253 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
NR3C2 P08235 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.43

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
SCHEMBL3195397 0.86 KMT2A (0.68) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL3195392 0.86 KMT2A (0.68) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL7657250 0.86 LMNA (0.94) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL31652444 0.85 KMT2A (0.66) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL31652566 0.85 KMT2A (0.66) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL2789416 0.85 LMNA (0.97) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL1819794 0.85 LMNA (0.97) KMT2ALMNAMEN1ALDH1A1OPRM1
Hydrochloric Acid SCHEMBL5606289 0.83 LMNA (1.00) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL6663882 0.83 KMT2A (0.73) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL11384579 0.82 LMNA (0.62) KMT2ALMNAMEN1ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
EP-0068732-B1 HERBICIDALLY ACTIVE MONOESTERS AND DIESTERS OF N-ALKYL SUBSTITUTED AMINO METHYL PHOSPHONIC ACID AND PROCESS FOR PREPARING SAME MONSANTO COMPANY (US) 1985-08-28 EP disclosed
US-4442044-A FROM A PHOSPHITE, A SATURATED TRIAZINE TRIESTER AND WATER MONSANTO COMPANY (US) 1984-04-10 US disclosed
US-4388103-A Alkylphosphonate monoesters of N-phosphonomethylglycinate as herbicides MONSANTO COMPANY (US) 1983-06-14 US disclosed
EP-0068732-A1 Herbicidally active monoesters and diesters of n-alkyl substituted amino methyl phosphonic acid and process for preparing same MONSANTO COMPANY (US) 1983-01-05 EP disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed