SCHEMBL7997399

SCHEMBL7997399

CCOC(=O)c1cc(-c2ccc(C=O)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.41
BRD4 O60885 1/20 0.41
ERN1 O75460 1/20 0.41
ALPL P05186 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11972313 0.86 CA12 (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2180427 0.85 SMN1; SMN2 (0.58) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL2294258 0.85 LMNA (0.54) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL2177301 0.85 MAPT (0.52) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL892695 0.85 SMN1; SMN2 (0.58) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL11972337 0.84 RAB9A (0.57) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL11509779 0.82 PPARG (0.48) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2117865 0.82 KDM4E (0.52) MAPTKDM4EHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL2296719 0.81 RAB9A (0.54) RAB9AMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL21317626 0.81 POLB (0.45) RAB9AMAPTNPC1KDM4ESMN1; SMN2

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 4 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-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 EP disclosed
WO-2000033836-A9 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORP (US) 2001-10-04 WO disclosed
WO-2000033836-A1 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORPORATION (US) 2000-06-15 WO disclosed