SCHEMBL20054835

SCHEMBL20054835

CN(C)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNMT1 P26358 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL14297019 0.86 POLB (0.49) POLBHPGDALDH1A1TSHRNPC1
SCHEMBL14297018 0.84 POLB (0.67) POLBHPGDNPC1MAPTMAPK1
SCHEMBL20196333 0.83 POLB (0.45) POLBHPGDALDH1A1TSHRNPC1
SCHEMBL23615473 0.82 HDAC3 (0.58) POLBHPGDALDH1A1NPC1MAPT
SCHEMBL19647099 0.82 L3MBTL1 (0.47) POLBHPGDUSP2ALDH1A1TSHR
SCHEMBL20054903 0.82 POLB (0.46) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL13625388 0.82 POLB (0.51) POLBHPGDALDH1A1NPC1MAPT
SCHEMBL20054859 0.81 POLB (0.45) POLBHPGDUSP2ALDH1A1NPC1
SCHEMBL13471907 0.80 THRA (0.49) POLBHPGDUSP2ALDH1A1TSHR
SCHEMBL14297023 0.79 ALDH1A1 (0.57) POLBHPGDALDH1A1TSHRNPC1

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-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed