SCHEMBL7724894

SCHEMBL7724894

C=CCOc1ccc(Cl)cc1NC(=O)Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51
BACE1 P56817 3/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 4/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
STAT3 P40763 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LPAR1 Q92633 1/20 0.45
TRPM4 Q8TD43 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX4 Q99571 1/20 0.44
KCNQ2 O43526 1/20 0.44

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
SCHEMBL7735222 0.88 TSHR (0.52) KCNJ5KCNJ3BACE1GAATSHR
SCHEMBL7734719 0.86 TSHR (0.54) MEN1KMT2AGAALMNATSHR
SCHEMBL8788960 0.83 MAPT (0.55) KCNJ5KCNJ3BACE1MEN1KMT2A
SCHEMBL28844870 0.82 BACE1 (0.56) KCNJ5KCNJ3BACE1MEN1KMT2A
SCHEMBL29733128 0.82 BACE1 (0.56) KCNJ5KCNJ3BACE1MEN1KMT2A
SCHEMBL7736629 0.76 MEN1 (0.70) KCNJ5KCNJ3MEN1KMT2AGAA
SCHEMBL28844976 0.71 KMT2A (0.55) MEN1KMT2AGAALMNAKDM4E
SCHEMBL29732923 0.71 KMT2A (0.55) MEN1KMT2AGAALMNAKDM4E
SCHEMBL8356791 0.70 KMT2A (0.54) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL7297398 0.70 SERPINE1 (0.54) MEN1KMT2AGAALMNATSHR

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed