SCHEMBL9763408

SCHEMBL9763408

COc1cc(OC)nc(N(S)C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NNMT P40261 4/20 0.38
SIRT6 Q8N6T7 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10397626 0.81 TSHR (0.36) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL10434834 0.74 LMNA (0.43) CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL28082134 0.71 POLB (0.43) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL2399559 0.71 SIRT6 (0.37) CYP1A2POLBALDH1A1KDM4ENNMT
SCHEMBL577637 0.71 POLB (0.53) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
Urea SCHEMBL28429513 0.71 ALDH1A1 (0.50) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL10827038 0.70 KDM4E (0.48) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL10181023 0.70 CYP1A2 (0.53) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL11035802 0.69 SMN1; SMN2 (0.46) CYP1A2POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL7192979 0.69 CYP1A2 (0.35) CYP1A2

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