SCHEMBL5317088

SCHEMBL5317088

[CH2]C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.55
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CYP19A1 P11511 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
GSK3B P49841 1/20 0.45
NAMPT P43490 3/20 0.45
HTT P42858 1/20 0.45
PPARA Q07869 2/20 0.44
AKR1B1 P15121 1/20 0.44
PRMT3 O60678 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL6444359 0.83 LOXL2 (0.57) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL1695664 0.83 LOXL2 (0.57) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL6563716 0.81 CYP2C9 (0.59) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL22250101 0.81 EPHX2 (0.55) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL5315293 0.81 LOXL2 (0.60) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL10194672 0.81 TGM2 (0.63) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL7934897 0.79 EPHX2 (0.52) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL19049390 0.79 LOXL2 (0.56) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL5315364 0.79 EPHX2 (0.52) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL15630672 0.79 EPHX2 (0.52) EPHX2LOXL2SAE1UBA2CYP19A1

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed