SCHEMBL2480927

SCHEMBL2480927

COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(C#N)cc2)cn1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(O)cc2)cn1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccncc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.37
ALPL P05186 1/20 0.36
EP300 Q09472 5/20 0.36
POLB P06746 1/20 0.36
RIPK3 Q9Y572 2/20 0.34
FLT3 P36888 2/20 0.34
CYP11B2 P19099 1/20 0.34
CREBBP Q92793 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HDAC3 O15379 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 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
SCHEMBL414385 0.93 PLA2G7 (0.41) PLA2G7ALPLEP300FLT3CREBBP
SCHEMBL413504 0.90 PLA2G7 (0.42) PLA2G7HDAC3CDK2CDK9HDAC1
SCHEMBL418475 0.90 POLB (0.43) PLA2G7POLBHTR1DHTR1BHDAC3
SCHEMBL416691 0.85 PLA2G7 (0.46) PLA2G7HDAC3CDK2CDK9HDAC1
SCHEMBL415358 0.83 PLA2G7 (0.42) PLA2G7HDAC3CDK2CDK9HDAC1
SCHEMBL417189 0.80 PLA2G7 (0.47) PLA2G7POLB
SCHEMBL2486787 0.78 PLA2G7 (0.39) PLA2G7HDAC3CDK2CDK9HDAC1
SCHEMBL416144 0.77 CDK9 (0.41) PLA2G7HDAC3CDK2CDK9HDAC1
SCHEMBL416101 0.76 POLB (0.43) PLA2G7POLBHDAC3CDK2CDK9
SCHEMBL2484979 0.73 PLA2G7 (0.41) PLA2G7POLBHDAC3CDK2CDK9

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-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed