SCHEMBL8538892

SCHEMBL8538892

CCOC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 2/20 0.49
GLA P06280 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44

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
Benzene SCHEMBL10687864 0.90 ALDH1A1 (0.53) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2984390 0.88 MAPT (0.59) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2702801 0.84 CYP1A2 (0.72) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3363746 0.82 KMT2A (0.53) CYP1A2ALDH1A1KDM4EKMT2AGLA
SCHEMBL3367290 0.80 KMT2A (0.49) CYP1A2ALDH1A1KDM4EKMT2AGLA
SCHEMBL3791688 0.80 CYP1A2 (0.72) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3364492 0.80 KMT2A (0.49) CYP1A2ALDH1A1KDM4EKMT2AGLA
SCHEMBL9740893 0.80 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11795513 0.79 POLB (0.48) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9763452 0.79 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTKDM4EKMT2A

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-0467251-B1 Process for the preparation of N-alkylsulfonylaminosulfonyl ureas HOECHST SCHERING AGREVO GMBH (DE) 1998-06-03 EP disclosed
US-5155222-A PROCESS FOR THE PREPARATION OF N-ALKYLSULFONYLAMINOSULFONYLUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-13 US disclosed
EP-0279366-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
EP-0467251-A2 Process for the preparation of N-alkylsulfonylaminosulfonyl ureas Hoechst Schering AgrEvo GmbH (DE) 1992-01-22 EP disclosed
US-4960887-A REACTING PROPANEDIIMIDATE WITH CARBONIC ACID IMINEDERIVATIVE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0279366-A2 Process for the preparation of pyrimidines HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 EP disclosed