SCHEMBL28746541

SCHEMBL28746541

CCCC(=O)N(C)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
SIGMAR1 Q99720 3/20 0.42
GAA P10253 1/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL11340728 0.83 MTNR1A (0.44) EGFRL3MBTL1MTNR1AMTNR1BSIGMAR1
SCHEMBL11170723 0.83 TP53 (0.45) TP53L3MBTL1MTNR1AMTNR1BGAA
SCHEMBL23222221 0.82 ALDH1A1 (0.51) TP53L3MBTL1SIGMAR1ALDH1A1MEN1
SCHEMBL14229264 0.81 TP53 (0.59) TP53L3MBTL1MTNR1AMTNR1BGAA
SCHEMBL15979067 0.81 HTR3E (0.53) TP53SIGMAR1GAAALDH1A1MAPT
SCHEMBL28746573 0.81 LTB4R2 (0.47) TP53RIPK1ALDH1A1LMNA
SCHEMBL18056984 0.81 MTNR1A (0.49) EGFRL3MBTL1MTNR1AMTNR1BSIGMAR1
SCHEMBL28746511 0.81 TP53 (0.46) EGFRTP53MTNR1AMTNR1BALDH1A1
SCHEMBL14229412 0.80 L3MBTL1 (0.43) TP53L3MBTL1MTNR1AMTNR1BGAA
SCHEMBL10258229 0.80 TP53 (0.43) EGFRTP53L3MBTL1ALDH1A1MEN1

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
CN-114539121-A A novel, photo-promoted process for the preparation of sulfonates and sulfonamides from sulfonyl chlorides 天津师范大学 2022-05-27 CN disclosed