SCHEMBL6219965

SCHEMBL6219965

CCNC(=N)Nc1ccc(C(NC(=O)c2ccccc2OC)C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
AHR P35869 1/20 0.46
GFER P55789 1/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 7/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL6219970 0.83 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL3455507 0.81 MEN1 (0.62) MEN1KMT2ARAB9ANPC1MAPK1
SCHEMBL6218372 0.78 KMT2A (0.44) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6220583 0.78 KMT2A (0.44) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6218368 0.75 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6220388 0.71 KMT2A (0.39) MEN1KMT2ARAB9ANPC1MAPK1
SCHEMBL6222537 0.71 LMNA (0.44) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL5363159 0.70 ALDH1A1 (0.54) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17137884 0.70 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1MAPK1
SCHEMBL6219967 0.70 ALDH1A1 (0.47) MEN1KMT2ARAB9ANPC1MAPK1

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