SCHEMBL8924416

SCHEMBL8924416

O=C(c1ccccc1)C(c1ccccc1)c1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
PLOD2 O00469 1/20 0.48
PLOD3 O60568 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6708325 0.88 L3MBTL1 (0.59) L3MBTL1TDP1MEN1KMT2ALMNA
SCHEMBL2927912 0.88 L3MBTL1 (1.00) L3MBTL1TDP1LMNACES2CES1
SCHEMBL6803687 0.82 SLC6A2 (0.58) L3MBTL1TDP1MEN1KMT2ASLC6A2
Biphenyl SCHEMBL28656314 0.82 L3MBTL1 (0.87) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7402172 0.82 L3MBTL1 (0.51) L3MBTL1TDP1MEN1KMT2ALMNA
SCHEMBL2524805 0.81 LMNA (0.74) L3MBTL1TDP1MEN1KMT2ASLC6A2
SCHEMBL8101551 0.79 MEN1 (0.52) L3MBTL1TDP1MEN1KMT2ASLC6A2
SCHEMBL14519367 0.79 MEN1 (0.52) L3MBTL1TDP1MEN1KMT2ASLC6A2
SCHEMBL3115655 0.79 MEN1 (0.52) L3MBTL1TDP1MEN1KMT2ASLC6A2
SCHEMBL14519387 0.79 L3MBTL1 (0.49) L3MBTL1TDP1MEN1KMT2ASLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO disclosed