SCHEMBL7735681

SCHEMBL7735681

O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)cc(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
KCNQ2 O43526 6/20 0.56
MAPT P10636 1/20 0.51
PIK3CA P42336 1/20 0.50
MAPK8 P45983 1/20 0.49
EPHX2 P34913 1/20 0.48
CSNK1D P48730 2/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1C Q13936 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1306728 0.77 MEN1 (0.65) MEN1KMT2AALDH1A1KCNQ2MAPK8
SCHEMBL6960412 0.76 GAA (0.43) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6581781 0.76 KCNQ2 (0.60) MEN1KMT2AALDH1A1KCNQ2MAPT
SCHEMBL4352857 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1EPHX2L3MBTL1
SCHEMBL21156700 0.76 MEN1 (0.65) MEN1KMT2AALDH1A1KCNQ2MAPT
SCHEMBL1309785 0.75 MEN1 (0.64) MEN1KMT2AALDH1A1KCNQ2MAPT
SCHEMBL1669892 0.74 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL1669896 0.74 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL28623703 0.74 CXCR2 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL15648896 0.73 KMT2A (0.60) MEN1KMT2AALDH1A1KCNQ2MAPT

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 1 patent. 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