SCHEMBL22854294

SCHEMBL22854294

C#CCNC(=O)C(CCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.54
▸ KMT2A Q03164 2/20 0.48
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL29561474 0.87 KMT2A (0.58) TLR2KMT2AMDM4TP53
SCHEMBL17615128 0.87 KMT2A (0.58) TLR2KMT2AMDM4TP53
SCHEMBL14090285 0.86 TLR2 (0.53) TLR2KMT2AMDM4TP53CASP3
SCHEMBL16095188 0.84 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL16095190 0.84 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29541007 0.84 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29398313 0.84 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29398093 0.84 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
Hydrochloric Acid SCHEMBL25358854 0.83 MDM4 (0.57) TLR2KMT2AMDM4TP53CASP3
SCHEMBL17282987 0.83 KMT2A (0.55) TLR2KMT2AMDM4TP53CASP3

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-2020264572-A1 FRAGMENT-BASED SCREENING TO IDENTIFY SMALL MOLECULES THAT SELECTIVELY BIND RNA THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-30 — — WO disclosed
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