SCHEMBL24762018

SCHEMBL24762018

CC(C)(C)OC(=O)NCCCCCCCNSc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
FPR3 P25089 4/20 0.49
FPR2 P25090 4/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MGLL Q99685 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28512058 0.82 LMNA (0.48) TDP1FPR3FPR2USP2LMNA
SCHEMBL24762604 0.81 NPSR1 (0.58) TDP1GAACYP3A4NPSR1
SCHEMBL23139878 0.81 TDP1 (0.47) TDP1MAOAMAOBCA12CA1
SCHEMBL25028474 0.79 CA12 (0.70) TDP1FPR3FPR2MGLLMAOA
SCHEMBL21482939 0.79 TDP1 (0.53) TDP1FPR3FPR2USP2LMNA
SCHEMBL18295921 0.79 L3MBTL1 (0.55) FPR3FPR2USP2LMNAMEN1
SCHEMBL2147505 0.77 CA12 (0.69) TDP1FPR3FPR2MGLLCA12
SCHEMBL23142808 0.77 ALDH1A1 (0.46) TDP1LMNAMGLLMAOAMAOB
SCHEMBL2551512 0.77 CA1 (0.53) TDP1FPR3FPR2USP2LMNA
SCHEMBL24762017 0.76 ALDH1A1 (0.60) TDP1FPR3FPR2CA12CA1

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
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed