SCHEMBL2344003

SCHEMBL2344003

[C]c1c(Cl)c(-c2cccnc2)n2c1C(=O)C(Cl)(Cl)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2A6 P11509 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
MAOA P21397 1/20 0.32
TYMP P19971 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL2343998 0.86 CYP11B2 (0.37) CYP11B1CYP11B2CYP1A2MEN1LMNA
SCHEMBL2157245 0.84 CYP11B2 (0.42) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL2158156 0.83 MKNK1 (0.39) CYP11B1CYP11B2CYP1A2MAPTP2RX7
SCHEMBL8328131 0.64 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2LMNAMAPT
SCHEMBL2157283 0.64 CYP11B2 (0.44) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL7591015 0.61 KCNH2 (0.41) CYP11B2MAPTKCNH2
SCHEMBL7590184 0.61 CYP11B2 (0.46) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL2158205 0.61 KDM4E (0.45) CYP11B1CYP11B2KMT2AALDH1A1MAOA
SCHEMBL7954864 0.59 CYP11B2 (0.42) CYP11B1CYP11B2MEN1LMNAMAPT
SCHEMBL8328721 0.59 MKNK1 (0.38) CYP11B2CYP2A6ALDH1A1P2RX7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed