SCHEMBL29405486

SCHEMBL29405486

CC(C)(C)NS(=O)(=O)c1cc(CBr)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NSD2 O96028 2/20 0.36
ALDH1A1 P00352 4/20 0.36
PARG Q86W56 1/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
DUT P33316 1/20 0.33

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
SCHEMBL22409170 1.00 EDNRB (0.41) EDNRBEDNRAMAPTRAB9ANPC1
SCHEMBL29404286 0.86 EDNRB (0.40) EDNRBEDNRAMAPTRAB9ANPC1
SCHEMBL22409055 0.86 EDNRB (0.40) EDNRBEDNRAMAPTRAB9ANPC1
SCHEMBL977122 0.86 EDNRB (0.40) EDNRBEDNRAMAPTRAB9ANPC1
SCHEMBL29401495 0.86 EDNRB (0.40) EDNRBEDNRAMAPTRAB9ANPC1
SCHEMBL7596576 0.83 LMNA (0.38) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL29401375 0.82 POLB (0.49) EDNRBEDNRAMAPTLMNAMEN1
SCHEMBL22409141 0.82 POLB (0.49) EDNRBEDNRAMAPTLMNAMEN1
SCHEMBL9826275 0.80 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1
SCHEMBL22409153 0.80 PTPN1 (0.43) MAPTRAB9ASMN1; SMN2KMT2AKDM4E

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
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
CN-114072390-A RAD51 inhibitors 赛泰尔治疗公司 2022-02-18 CN disclosed