SCHEMBL9763452

SCHEMBL9763452

CCOC(=O)N(S)C(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8538892 0.79 CYP1A2 (0.62) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL3791688 0.73 CYP1A2 (0.72) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL9740893 0.73 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL2984390 0.72 MAPT (0.59) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL8431787 0.71 CYP1A2 (0.75) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL7923981 0.71 CYP1A2 (0.64) CYP1A2ALDH1A1MAPTKDM4ETP53
Benzene SCHEMBL10687864 0.70 ALDH1A1 (0.53) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL9408481 0.70 CYP1A2 (0.50) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL9370986 0.70 GAA (0.51) CYP1A2ALDH1A1MAPTKDM4ETP53
SCHEMBL2702801 0.70 CYP1A2 (0.72) CYP1A2ALDH1A1MAPTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988379-A Pre- and postemergent BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-RE33298-E PREEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
US-4840661-A Sulphonyliso(thio)urea derivatives and herbicidal use thereof BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
US-4820337-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
US-4769455-A Benzodisultams BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
US-4704158-A PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-03 US disclosed
US-4680052-A Herbicidal benzodisultam derivative, compositions and method of use therefor BAYER AKTIENGESELLSCHAFT (DE) 1987-07-14 US disclosed
US-4666505-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-19 US disclosed
US-4659364-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4658027-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-04-14 US disclosed
US-4645528-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed