SCHEMBL29958566

SCHEMBL29958566

COC(=O)Cc1cc(Cl)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 2/20 0.39
ACLY P53396 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4635493 1.00 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL23243620 0.87 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL29632664 0.87 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL31053255 0.84 GAA (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7886929 0.84 GAA (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5954084 0.83 HPGD (0.42) ALDH1A1MEN1KMT2AHSP90AB1KDM4E
SCHEMBL7133160 0.83 MAPT (0.49) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL19974304 0.83 MTNR1A (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL31092358 0.83 MTNR1A (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL13136740 0.82 MAPT (0.42) MAPTAKR1C3ALDH1A1MEN1KMT2A

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
CN-118434417-A Cyclic sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-02 CN disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed