SCHEMBL29849939

SCHEMBL29849939

O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 6/20 0.82
ALDH1A1 P00352 3/20 0.76
GAA P10253 1/20 0.76
POLB P06746 1/20 0.73
CD274 Q9NZQ7 2/20 0.68
KMT2A Q03164 1/20 0.67
EPHX2 P34913 2/20 0.66
HTT P42858 1/20 0.64
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.60
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL16430957 1.00 BCL3 (0.82) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL29849958 0.91 POLB (0.87) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL16430973 0.91 POLB (0.87) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL17870596 0.90 BCL3 (1.00) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL17554108 0.89 BCL3 (0.73) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL17554020 0.89 BCL3 (0.76) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL17554174 0.89 BCL3 (0.76) BCL3ALDH1A1GAAPOLBCD274
SCHEMBL29849769 0.89 BCL3 (0.85) BCL3ALDH1A1GAAPOLBKMT2A
SCHEMBL16431055 0.89 BCL3 (0.85) BCL3ALDH1A1GAAPOLBKMT2A
SCHEMBL17554112 0.88 BCL3 (0.64) BCL3ALDH1A1GAAPOLBTSHR

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-3027594-B1 2-BENZOYLAMINOBENZAMIDE DERIVATIVES AS BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2022-08-10 EP claimed
EP-3027594-B1 2-BENZOYLAMINOBENZAMIDE DERIVATIVES AS BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2022-08-10 EP disclosed