SCHEMBL2210474

SCHEMBL2210474

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1.CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCN3C)c1.CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccnn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 1/20 0.36
PRNP P04156 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3377457 0.92 MAPT (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3378121 0.85 MAPT (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3378020 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL3376941 0.79 POLB (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL3376222 0.79 MAPT (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL302013 0.76 POLB (0.43) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL3376229 0.76 ALDH1A1 (0.53) ALDH1A1POLBMAPTGAALMNA
SCHEMBL3377134 0.76 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL303525 0.74 KMT2A (0.53) MEN1KMT2APOLBMAPTPRNP
SCHEMBL302098 0.73 KEAP1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed