SCHEMBL5312503

SCHEMBL5312503

COC(=O)c1cccc2nc(Nc3ccccc3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 5/20 0.47
AKR1C3 P42330 1/20 0.47
CXCR2 P25025 1/20 0.47
PIM1 P11309 1/20 0.45
DDX3X O00571 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2927614 0.84 AKR1C3 (0.49) KMT2AMEN1AKR1C3CXCR2PIM1
SCHEMBL1201581 0.80 KMT2A (0.42) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL697780 0.78 KDM4E (0.54) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL12109510 0.77 KDM4E (0.46) MAPTKMT2AMEN1KDM4EPIM1
SCHEMBL10212480 0.76 KDM4E (0.55) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL31391099 0.76 KDM4E (0.48) MAPTKMT2AMEN1KDM4EPIM1
SCHEMBL7005938 0.76 KDM4E (0.45) MAPTKMT2AMEN1KDM4EPIM1
SCHEMBL1202057 0.76 ALDH1A1 (0.47) MAPTKMT2AMEN1KDM4EPIM1
SCHEMBL18410602 0.76 PIM1 (0.49) MAPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL18236212 0.76 PIM1 (0.49) MAPTKMT2AMEN1KDM4EAKR1C3

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-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed