SCHEMBL6911539

SCHEMBL6911539

O=Cc1ccc(Cl)c(Cl)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPD P32754 1/20 0.39

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
SCHEMBL7398752 0.83 HTR1A (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4962154 0.81 LMNA (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5839420 0.81 CCNB2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6441776 0.81 MAPT (0.54) MAOBPOLBLMNASMN1; SMN2NPC1
SCHEMBL11852626 0.80 NPC1 (0.48) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28877513 0.80 CCNB2 (0.53) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL10605128 0.79 LMNA (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4958314 0.78 LMNA (0.39) POLBLMNAHTR1AADRA1DADRA1A
SCHEMBL27571443 0.78 POLB (0.44) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20607402 0.78 POLB (0.43) CCNB2CDK1CDK4CCNB1CCND1

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-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed