SCHEMBL11809133

SCHEMBL11809133

CCC(C)CN1C(=O)c2ccccc2NS1(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
RECQL P46063 1/20 0.57
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
ABCB1 P08183 5/20 0.38
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
ELANE P08246 1/20 0.37
HPGD P15428 1/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL11807765 0.87 KDM4E (0.61) KDM4ERECQLCA12CA9PDE7A
SCHEMBL11810224 0.84 KDM4E (0.58) KDM4ERECQLCA12CA9PDE7A
SCHEMBL11813741 0.84 KDM4E (0.58) KDM4ERECQLCA12CA9ABCB1
SCHEMBL11392984 0.82 KDM4E (0.58) KDM4ERECQLCA12CA9PDE7A
SCHEMBL6369991 0.80 CA12 (0.56) KDM4ERECQLCA12CA9PDE7A
SCHEMBL11812499 0.77 CA9 (0.58) KDM4ERECQLCA12CA9PDE7A
SCHEMBL11804193 0.77 KDM4E (0.73) KDM4ERECQLCA12CA9ABCB1
SCHEMBL11807230 0.76 CA12 (0.59) KDM4ERECQLCA12CA9ALDH1A1
SCHEMBL11807225 0.75 KDM4E (0.70) KDM4ERECQLCA12CA9ABCB1
SCHEMBL11813351 0.75 KDM4E (0.69) KDM4ERECQLCA12CA9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3935200-A HERBICIDE BASF AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed