SCHEMBL6205841

SCHEMBL6205841

O=C(O)c1ccc(NC(=O)C2CCCC2)c(OC(F)(F)F)c1.O=C(O)c1ccc(NC(=O)C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PYGL P06737 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 3/20 0.44
FAAH O00519 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GRM4 Q14833 1/20 0.42
LIPE Q05469 1/20 0.42
EPHX1 P07099 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
ENPP2 Q13822 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL1750448 0.94 PYGL (0.49) IP6K1IP6K3IP6K2SMN1; SMN2NPSR1
SCHEMBL2915188 0.81 PTPN1 (0.49) IP6K1IP6K3IP6K2SMN1; SMN2LMNA
SCHEMBL1749404 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MAPTNPSR1PYGLHPGD
SCHEMBL1749350 0.79 PTPN1 (0.69) IP6K1IP6K3IP6K2SMN1; SMN2LMNA
SCHEMBL694058 0.78 PTPN1 (0.72) IP6K1IP6K3IP6K2SMN1; SMN2LMNA
SCHEMBL11732553 0.78 PTPN1 (0.72) IP6K1IP6K3IP6K2SMN1; SMN2LMNA
SCHEMBL4604019 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTNPSR1HPGD
SCHEMBL2907510 0.76 F11 (0.48) SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL11729220 0.76 PTPN1 (0.64) IP6K1IP6K3IP6K2SMN1; SMN2LMNA
SCHEMBL18960368 0.75 EPHX2 (0.64) SMN1; SMN2LMNAMAPTNPSR1PTPN1

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-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed