SCHEMBL30560552

SCHEMBL30560552

COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.89
BCL3 P20749 5/20 0.89
GAA P10253 1/20 0.89
POLB P06746 1/20 0.79
KMT2A Q03164 3/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL17554065 1.00 ALDH1A1 (0.89) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL16430708 0.94 BCL3 (1.00) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL29849945 0.94 BCL3 (1.00) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL30560594 0.90 ALDH1A1 (0.72) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL17554103 0.90 ALDH1A1 (0.72) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL9229341 0.87 POLB (0.84) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL17554144 0.87 ALDH1A1 (0.68) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL10379079 0.86 CYP2C9 (0.73) ALDH1A1BCL3GAAPOLBCYP2D6
SCHEMBL17554086 0.85 ALDH1A1 (0.66) ALDH1A1BCL3GAAPOLBKMT2A
SCHEMBL17554043 0.85 POLB (0.77) ALDH1A1BCL3GAAPOLBKMT2A

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-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed