SCHEMBL6219641

SCHEMBL6219641

COc1ccc(C(=O)NC(c2ccccc2)[C@H]2CC[C@@H](N(C)C(N)=NC#N)CC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CAPN1 P07384 1/20 0.36
TP53 P04637 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6218371 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL6220580 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL5467362 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL5474220 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL2860755 0.77 MEN1 (0.62) MEN1KMT2AALDH1A1MAPT
SCHEMBL6219644 0.73 KMT2A (0.46) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL2867611 0.71 MEN1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL6220387 0.70 KCNA5 (0.39) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL5460016 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL6219637 0.69 KMT2A (0.46) MEN1KMT2AALDH1A1MAPK1NPC1

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