SCHEMBL7398917

SCHEMBL7398917

CC(C)[C@H](NC(=O)C(Cc1ccccc1)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cnnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
APP P05067 1/20 0.40
KLK5 Q9Y337 2/20 0.39
CMA1 P23946 4/20 0.39
REN P00797 1/20 0.38
ATM Q13315 1/20 0.37
BACE1 P56817 2/20 0.37

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
SCHEMBL7398919 1.00 KMT2A (0.46) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL7398913 1.00 KMT2A (0.46) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL7398920 1.00 KMT2A (0.46) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546745 0.92 KMT2A (0.47) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546739 0.92 KMT2A (0.47) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546753 0.92 KMT2A (0.47) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546491 0.89 KMT2A (0.47) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546494 0.89 KMT2A (0.47) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL7400064 0.89 PSEN1 (0.51) KMT2AMAPK1PSEN1PSEN2APH1B
SCHEMBL7400059 0.89 PSEN1 (0.51) KMT2AMAPK1PSEN1PSEN2APH1B

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-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO disclosed