SCHEMBL4632146

SCHEMBL4632146

C[C@H](Cl)Oc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.38
ALPL P05186 2/20 0.36

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
SCHEMBL28032045 1.00 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28269451 0.84 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29388428 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL826368 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3645535 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23701489 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2307870 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11001241 0.79 SMN1; SMN2 (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20995459 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12846287 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8

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-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed