SCHEMBL19901567

SCHEMBL19901567

CNCC(=O)NCC(=O)NCC(=O)NCN1C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.36
ALDH1A1 P00352 3/20 0.36
BLM P54132 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GMNN O75496 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
FAAH O00519 4/20 0.32
PTGS1 P23219 8/20 0.32

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
SCHEMBL19901553 0.85 MGLL (0.39) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL19901555 0.83 TERT (0.41) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL4761373 0.79 MGLL (0.41) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL19901568 0.79 PTGS1 (0.40) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19901583 0.79 AKT1 (0.43) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL4761338 0.78 ALDH1A1 (0.48) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL19901565 0.78 PTGS1 (0.41) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL9999885 0.77 PTGS1 (0.37) MGLLALDH1A1BLMLMNAMAPT
SCHEMBL22455963 0.76 OPRM1 (0.41) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL11887084 0.74 PTGS1 (0.43) MGLLALDH1A1BLMLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 EP disclosed
US-9901647-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2018-02-27 US disclosed