SCHEMBL22987301

SCHEMBL22987301

O=CNCC(=O)NCC(=O)NCC(=O)Nc1cc(CO)cc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TERT O14746 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CA9 Q16790 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL22064051 0.81 TERT (0.52) TERTKMT2AMEN1TOP2ATOP2B
SCHEMBL22987302 0.78 KDM4E (0.38) LMNATERTKMT2AMEN1ALDH1A1
SCHEMBL20051422 0.78 MEN1 (0.47) LMNAKMT2AMEN1HPGDGAA
SCHEMBL17570931 0.73 RECQL (0.47) LMNAKMT2AMEN1GAA
SCHEMBL22064568 0.73 ALDH1A1 (0.66) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL7142749 0.72 MEN1 (0.43) LMNAKMT2AMEN1GAA
SCHEMBL17570922 0.70 PDK1 (0.33) KMT2ATOP2ATOP2B
SCHEMBL17570905 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EPOLB
SCHEMBL18924126 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EPOLB
SCHEMBL6018151 0.68 EPHX2 (0.53) LMNAKMT2AMEN1ALDH1A1KDM4E

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-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed