SCHEMBL4073498

SCHEMBL4073498

CCCCn1c(-c2cc(OC)c(OC)c(O)c2Br)nc2sc3c(CO)cccc3c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PGR P06401 3/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 1/20 0.35
FPR1 P21462 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TNF P01375 2/20 0.34
LITAF Q99732 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
POLB P06746 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL1817311 0.86 HSD11B1 (0.52) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL3990138 0.85 HSD11B1 (0.55) HSD11B1MEN1KMT2APGRSMN1; SMN2
SCHEMBL1819589 0.81 HSD11B1 (0.58) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL1820439 0.80 HSD11B1 (0.62) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL1819650 0.79 HSD11B1 (0.51) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL2922023 0.78 HSD11B1 (0.57) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL2918183 0.77 HSD11B1 (0.78) HSD11B1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2922619 0.77 HSD11B1 (0.46) HSD11B1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2924132 0.76 HSD11B1 (0.57) HSD11B1MEN1KMT2APGRLMNA
SCHEMBL2915813 0.76 HSD11B1 (0.79) HSD11B1MEN1KMT2ALMNASMN1; SMN2

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-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed