SCHEMBL22987302

SCHEMBL22987302

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 5/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.34
TERT O14746 1/20 0.34

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
SCHEMBL17570931 0.81 RECQL (0.47) LMNAKMT2AMEN1L3MBTL1
SCHEMBL22064051 0.80 TERT (0.52) KMT2APOLBMEN1ALDH1A1PKM
SCHEMBL22987301 0.78 LMNA (0.41) KDM4EMAPTLMNAHPGDKMT2A
SCHEMBL17570905 0.77 ALDH1A1 (0.48) KDM4EPOLBALDH1A1
SCHEMBL18924126 0.77 ALDH1A1 (0.48) KDM4EPOLBALDH1A1
SCHEMBL29329237 0.74 L3MBTL1 (0.46) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL22064568 0.72 ALDH1A1 (0.66) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL17570922 0.71 PDK1 (0.33) KMT2A
SCHEMBL24239916 0.71 CA12 (0.51) KDM4ELMNAKMT2APOLBMEN1
SCHEMBL19463069 0.69 HDAC8 (0.54) HPGDKMT2AMEN1ALDH1A1L3MBTL1

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