SCHEMBL6220583

SCHEMBL6220583

CN/C(=N/C#N)Nc1ccc(C(NC(=O)c2ccccc2OC)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
AHR P35869 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL6218372 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL6219644 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL6219970 0.80 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL3455507 0.79 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPK1RAB9A
SCHEMBL6219965 0.78 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL6220388 0.75 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPK1RAB9A
SCHEMBL6218368 0.74 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL6220580 0.73 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPK1RAB9A
SCHEMBL6218371 0.73 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPK1RAB9A
SCHEMBL6220384 0.72 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPK1RAB9A

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-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO disclosed