SCHEMBL7734719

SCHEMBL7734719

C=CCOc1ccc(Cl)cc1NC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 6/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7724894 0.86 KCNJ5 (0.51) TSHRGAALMNAMEN1KMT2A
SCHEMBL29732903 0.81 LMNA (0.59) L3MBTL1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL28844846 0.81 LMNA (0.59) L3MBTL1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL8356791 0.78 KMT2A (0.54) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7373976 0.76 SMN1; SMN2 (0.50) GAAL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL7734705 0.75 MAPK1 (0.74) TSHRGAAL3MBTL1MAPK1LMNA
SCHEMBL8924485 0.75 L3MBTL1 (0.61) TSHRL3MBTL1MAPK1LMNASMN1; SMN2
SCHEMBL1308597 0.74 MEN1 (0.72) L3MBTL1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL30662093 0.73 L3MBTL1 (0.56) TSHRL3MBTL1MAPK1LMNASMN1; SMN2
SCHEMBL28844878 0.73 MEN1 (0.57) L3MBTL1LMNASMN1; SMN2MEN1KMT2A

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