SCHEMBL2484979

SCHEMBL2484979

COc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1.COc1ccc(Cl)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2)cn1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.41
NLRP3 Q96P20 2/20 0.38
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PDK2 Q15119 1/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
GCGR P47871 1/20 0.35

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
SCHEMBL2486787 0.95 PLA2G7 (0.39) PLA2G7PDK2CDK2CDK9HDAC1
SCHEMBL417189 0.90 PLA2G7 (0.47) PLA2G7NLRP3POLB
SCHEMBL416144 0.89 CDK9 (0.41) PLA2G7NLRP3PDK2CDK2CDK9
SCHEMBL415358 0.89 PLA2G7 (0.42) PLA2G7PDK2CDK2CDK9HDAC1
SCHEMBL416691 0.86 PLA2G7 (0.46) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL2485770 0.83 PLA2G7 (0.41) PLA2G7MAPTPOLB
SCHEMBL413504 0.82 PLA2G7 (0.42) PLA2G7MAPTCDK2CDK9HDAC1
SCHEMBL418475 0.80 POLB (0.43) PLA2G7POLBCDK2CDK9HDAC1
SCHEMBL414385 0.79 PLA2G7 (0.41) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL416548 0.75 PLA2G7 (0.42) PLA2G7

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 claimed
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 claimed