SCHEMBL10048758

SCHEMBL10048758

CC(Nc1c(-c2ccc(F)cc2)nc2cnccn12)C(=O)N1CCN(C2C3=C(C=CCC3)CCc3ccccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GAA P10253 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 4/20 0.36
TLR9 Q9NR96 3/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36

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
SCHEMBL14963735 0.90 KDM4E (0.45) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL10048708 0.84 BRAF (0.43) KDM4EGAAALDH1A1HPGDATM
SCHEMBL10048883 0.82 GAA (0.47) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL14963777 0.81 ATM (0.40) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL14963762 0.81 GAA (0.46) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL14963727 0.79 GAA (0.52) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL10048762 0.77 GAA (0.52) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL10049222 0.77 KDM4E (0.53) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL10049203 0.74 GAA (0.49) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL10048760 0.74 GAA (0.49) KDM4EGAAALDH1A1HPGDALOX15

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-2012018665-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed