SCHEMBL29401495

SCHEMBL29401495

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
IKBKB O14920 1/20 0.38
PTGES2 Q9H7Z7 3/20 0.38
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL977122 1.00 EDNRB (0.40) EDNRBEDNRARAB9ALMNAMEN1
SCHEMBL29405486 0.86 EDNRB (0.41) EDNRBEDNRARAB9ALMNAMEN1
SCHEMBL22409170 0.86 EDNRB (0.41) EDNRBEDNRARAB9ALMNAMEN1
SCHEMBL22409055 0.84 EDNRB (0.40) EDNRBEDNRARAB9ALMNAMEN1
SCHEMBL29404286 0.84 EDNRB (0.40) EDNRBEDNRARAB9ALMNAMEN1
SCHEMBL22409141 0.84 POLB (0.49) EDNRBEDNRALMNAMEN1KMT2A
SCHEMBL29401375 0.84 POLB (0.49) EDNRBEDNRALMNAMEN1KMT2A
SCHEMBL22409153 0.81 PTPN1 (0.43) RAB9AKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL30884146 0.81 PTPN1 (0.43) RAB9AKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL22409152 0.81 ALDH1A1 (0.43) EDNRBEDNRARAB9ALMNAMEN1

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