SCHEMBL30503138

SCHEMBL30503138

Cc1ccc(S(=O)(=O)n2nc(F)c3cc(Br)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HTR6 P50406 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.40
SLC9A1 P19634 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 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
SCHEMBL25172564 1.00 MAPT (0.45) MAPTHTR6CYP3A4CYP2D6THRB
SCHEMBL1272497 0.86 MAPT (0.50) MAPTTHRBSLC9A1LMNAKMT2A
SCHEMBL22915922 0.81 KLK7 (0.43) MAPTHTR6SLC9A1LMNAKMT2A
SCHEMBL30302198 0.80 NR1H2 (0.49) MAPTHTR6SLC9A1LMNAKMT2A
SCHEMBL2144861 0.78 MAPT (0.50) MAPTHTR6THRBSLC9A1LMNA
SCHEMBL15910233 0.76 HTR6 (0.47) HTR6CYP3A4CYP2D6THRBLMNA
SCHEMBL30661141 0.76 HTR6 (0.47) HTR6CYP3A4CYP2D6THRBLMNA
SCHEMBL25169357 0.74 HTR6 (0.47) MAPTHTR6THRBSLC9A1LMNA
SCHEMBL31571431 0.74 HTR6 (0.55) HTR6CYP3A4CYP2D6
SCHEMBL23589255 0.74 HTR6 (0.55) HTR6CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426688-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES Redx Pharma Plc (GB) 2024-09-11 EP disclosed
CN-118201918-A DDR1 and DDR2 inhibitors for the treatment of cancer and fibrotic diseases 莱德克斯制药公共有限公司 2024-06-14 CN disclosed
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed