SCHEMBL9546796

SCHEMBL9546796

CC(C)C(NC(=O)C(Cc1ccc(OC(F)(F)F)cc1)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 3/20 0.39
CMA1 P23946 9/20 0.38
MEN1 O00255 1/20 0.37
CCR1 P32246 1/20 0.36
MAPK1 P28482 1/20 0.36
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
CTRC Q99895 2/20 0.35
KLK5 Q9Y337 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
SCHEMBL9546786 1.00 P2RX7 (0.41) P2RX7KMT2ACMA1MEN1CCR1
SCHEMBL9546791 1.00 P2RX7 (0.41) P2RX7KMT2ACMA1MEN1CCR1
SCHEMBL9546541 0.94 KMT2A (0.43) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546535 0.94 KMT2A (0.43) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546594 0.89 CCR1 (0.41) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546602 0.89 CCR1 (0.41) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546612 0.89 CCR1 (0.41) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546847 0.87 KMT2A (0.43) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546845 0.87 KMT2A (0.43) KMT2ACMA1MEN1CCR1MAPK1
SCHEMBL9546842 0.87 KMT2A (0.43) KMT2ACMA1MEN1CCR1MAPK1

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed