SCHEMBL1672825

SCHEMBL1672825

CCn1c(Cl)c(-c2ccc(O)cc2)c(-c2c(C)csc2C)c1/C(N)=N/O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1672828 1.00 NPC1 (0.31) NPC1ALDH1A1LMNAGAAMAPT
SCHEMBL1670617 0.86
SCHEMBL1670618 0.86
SCHEMBL1672830 0.81
SCHEMBL1670841 0.77
SCHEMBL1670339 0.74
SCHEMBL1672875 0.74
SCHEMBL1671861 0.74 ESR1 (0.36)
SCHEMBL1670509 0.74 KDM1A (0.33)
SCHEMBL1672877 0.74

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed