SCHEMBL5043791

SCHEMBL5043791

c1ccc(Cn2cc(-c3ccccc3CCc3ncccc3Nc3cccnc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.41
CREBBP Q92793 7/20 0.40
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PIK3CD O00329 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PDK2 Q15119 1/20 0.37
ALK Q9UM73 1/20 0.37
HTR2C P28335 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL5043788 0.79 L3MBTL1 (0.48) L3MBTL1MAPK1CREBBPMKNK1MKNK2
SCHEMBL1366828 0.74 L3MBTL1 (0.56) L3MBTL1MAPK1CREBBPMKNK1MKNK2
SCHEMBL2063286 0.72 KCNA5 (0.64) L3MBTL1MAPK1CREBBPPDK2
SCHEMBL4784136 0.70 L3MBTL1 (0.60) L3MBTL1MAPK1CREBBPPIK3CDPDK2
SCHEMBL5149370 0.68 LTA4H (0.44) L3MBTL1MAPK1
SCHEMBL884904 0.66 KCNA5 (0.57) L3MBTL1CREBBPALDH1A1
SCHEMBL17646086 0.64 KDR (0.51) MAPK1ALDH1A1ABL1
SCHEMBL21937939 0.64 CREBBP (0.77) L3MBTL1CREBBPALK
SCHEMBL21045462 0.64 HDAC3 (0.54) L3MBTL1
SCHEMBL10094644 0.64 CREBBP (0.69) L3MBTL1CREBBPPIK3CDPDK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed