SCHEMBL3823752

SCHEMBL3823752

C=CCN(CC=C)c1ccc(C(=O)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.42
LSS P48449 2/20 0.41
PTPN1 P18031 3/20 0.41
RAB9A P51151 3/20 0.40
TGM2 P21980 1/20 0.39
NPC1 O15118 2/20 0.38
APP P05067 2/20 0.38
MAPT P10636 2/20 0.38
BCL2A1 Q16548 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
SNCA P37840 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11246200 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNALSSPTPN1TGM2
SCHEMBL9321439 0.81 SMN1; SMN2 (0.43) CES2CES1SMN1; SMN2LMNAPTPN1
SCHEMBL13679645 0.81 ALDH1A1 (0.47) CES2CES1SMN1; SMN2LMNALSS
SCHEMBL88637 0.80 HPGD (0.52) SMN1; SMN2LMNALSSPTPN1RAB9A
SCHEMBL250420 0.79 TSHR (0.46) SMN1; SMN2PTPN1RAB9ANPC1MEN1
SCHEMBL4564604 0.77 MAPT (0.50) SMN1; SMN2LMNAPTPN1RAB9ANPC1
SCHEMBL5950655 0.77 KDM4E (0.47) SMN1; SMN2PTPN1RAB9AMAPTKDM4E
SCHEMBL851567 0.75 CHKA (0.50) SMN1; SMN2PTPN1GAA
SCHEMBL1521415 0.75 RAB9A (0.58) LMNALSSRAB9ANPC1MAPT
SCHEMBL7854278 0.74 MEN1 (0.47) SMN1; SMN2LMNAPTPN1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 EP disclosed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 EP disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 WO disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 US disclosed
US-5756527-A ANTICARCINOGENIC AGENTS ONTOGEN CORPORATION (US) 1998-05-26 US disclosed
EP-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 EP disclosed