SCHEMBL8334196

SCHEMBL8334196

O=C(CNNC(=O)OCc1ccccc1)Nc1c[c]ccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
POLB P06746 2/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
RAB9A P51151 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPC1 O15118 1/20 0.41
ENPP2 Q13822 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL1298798 0.86 MGLL (0.59) MGLLPOLBKDM1ARCOR1RAB9A
SCHEMBL7220258 0.78 MGLL (0.54) MGLLPOLBKDM1ARCOR1RAB9A
SCHEMBL8335469 0.78 MEN1 (0.44) MGLLPOLBRAB9ANPC1KMT2A
SCHEMBL8338660 0.77 HDAC8 (0.49) MGLLKDM1ARCOR1
SCHEMBL752217 0.76 EPHX2 (0.69) RAB9ACA12CA1CA2CA9
SCHEMBL7315510 0.74 KDM1A (0.67) MGLLPOLBKDM1ARCOR1RAB9A
SCHEMBL8878482 0.74 CA12 (0.55) MGLLPOLBRAB9ACA12CA1
SCHEMBL1418819 0.72 SCN1A (0.40) POLBKDM1ARAB9AKMT2AGAA
SCHEMBL1419665 0.71 LMNA (0.49) MGLLCA12CA1CA2CA9
Benzyl Phenylcarbamate SCHEMBL1222943 0.70 POLB (0.78) MGLLPOLBKDM1ARCOR1RAB9A

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-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US disclosed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US disclosed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO disclosed