SCHEMBL1503317

SCHEMBL1503317

COC(=O)c1ncc(CNCCc2ccc(F)cc2C(C)OCc2ccccc2)c(CO)c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
BCHE P06276 4/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33
NPY2R P49146 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2A P14555 2/20 0.33
TRPV6 Q9H1D0 1/20 0.32
MPO P05164 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL1503319 0.84 KMT2A (0.38) KMT2ABCHELMNAMEN1KDM4E
SCHEMBL1503138 0.78 KMT2A (0.48) KMT2AMEN1KDM4EMAPTTRPV6
SCHEMBL1503322 0.70 MAPT (0.34) KMT2ALMNAMAPT
SCHEMBL2221780 0.70 KDM4E (0.47) KMT2AMEN1KDM4ETRPV6MPO
SCHEMBL12444364 0.69 ALOX5 (0.40) KMT2ALMNAMEN1KDM4EHTT
SCHEMBL1503131 0.68 BCHE (0.39) KMT2ABCHEMEN1
SCHEMBL1503187 0.68 ALDH1A1 (0.41) KMT2ALMNAMEN1KDM4EMAPT
SCHEMBL1503238 0.66 HDAC1 (0.49) KMT2AKDM4ETRPV6MPO
SCHEMBL1503229 0.64 MAPT (0.46) KMT2ALMNAKDM4EMAPT
SCHEMBL27833103 0.63 KDM4E (0.46) KMT2AMEN1KDM4ETRPV6MPO

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-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO disclosed