SCHEMBL6219637

SCHEMBL6219637

COc1ccc(C(=O)NC(c2ccc(N(C)C(=N)NC#N)cc2)C2CCCCC2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTSS P25774 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6218368 0.89 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL6219644 0.75 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL6219641 0.69 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL6220384 0.68 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL11239859 0.67 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL3455875 0.67 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL3455507 0.66 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL13761422 0.66 TP53 (0.68) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL17137884 0.66 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL16464174 0.65 P2RX7 (0.55) KMT2AMEN1ALDH1A1MAPK1NPC1

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