SCHEMBL30293175

SCHEMBL30293175

C[C@@H](CN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CASP3 P42574 4/20 0.53
EPHX2 P34913 1/20 0.50
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
PIN1 Q13526 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL19426813 1.00 KMT2A (0.60) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31135499 1.00 KMT2A (0.60) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL30293185 0.99 KMT2A (0.59) KMT2ACASP3EPHX2MDM4TP53
Hydrochloric Acid SCHEMBL31373834 0.99 KMT2A (0.59) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL21504341 0.90 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29400279 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29401663 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12714718 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31520526 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12292171 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53

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-2023039068-A1 COMPOSITIONS AND METHODS FOR SYNTHESIS OF PEPTIDE NUCLEIC ACID INTERMEDIATES NEUBASE THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed