SCHEMBL9770943

SCHEMBL9770943

CCOC(=O)c1cc(N(F)C(=S)N2CCCC=N2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 4/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 2/20 0.36
CETP P11597 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL9770931 0.77 MAPT (0.43) ALDH1A1BAZ2BBAZ2AHPGDKDM4E
SCHEMBL11801981 0.69 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL9823983 0.67 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL195023 0.67 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL27842841 0.66 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL11225504 0.64 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL2549970 0.64 LMNA (0.60) CYP4F2CYP4A11BAZ2BBAZ2AHPGD
SCHEMBL2406530 0.64 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL21020989 0.63 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A
SCHEMBL4257998 0.63 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1BAZ2BBAZ2A

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed