SCHEMBL19789740

SCHEMBL19789740

CCCCC(CO)CSc1ccc(F)cc1C(=O)c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
PBRM1 Q86U86 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
GAK O14976 1/20 0.33
LCK P06239 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDGFRB P09619 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
EPHA5 P54756 1/20 0.33
MAPK11 Q15759 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR2 P34972 1/20 0.32
TUBB4A P04350 1/20 0.31

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
SCHEMBL19789790 0.88
SCHEMBL19789724 0.86 MEN1 (0.39) LMNANPC1POLBCYP2C9ALDH1A1
SCHEMBL13620463 0.86 MEN1 (0.39) LMNANPC1POLBCYP2C9ALDH1A1
SCHEMBL19789827 0.80 SLC6A2 (0.32) DDR1
SCHEMBL19789753 0.69 MAOA (0.38) LMNAPOLB
SCHEMBL13620313 0.69 MAOA (0.38) LMNAPOLB
SCHEMBL19789893 0.68 IGFBP3 (0.38) LMNACNR2
SCHEMBL19789689 0.67 CES2 (0.42) LMNANPC1POLBKDM4EALDH1A1
SCHEMBL19789792 0.67 MEN1 (0.41) LMNANPC1POLBCYP2C9KDM4E
SCHEMBL349629 0.67 DDR1 (0.36) MAPK14LMNAALDH1A1CNR2DDR1

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
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed