SCHEMBL29404286

SCHEMBL29404286

CC(C)(C)NS(=O)(=O)c1cc(CN)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
NSD2 O96028 2/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL22409055 1.00 EDNRB (0.40) EDNRBEDNRANSD2MAPTSMN1; SMN2
SCHEMBL29405486 0.86 EDNRB (0.41) EDNRBEDNRANSD2MAPTSMN1; SMN2
SCHEMBL22409170 0.86 EDNRB (0.41) EDNRBEDNRANSD2MAPTSMN1; SMN2
SCHEMBL977122 0.84 EDNRB (0.40) EDNRBEDNRANSD2MAPTSMN1; SMN2
SCHEMBL29401495 0.84 EDNRB (0.40) EDNRBEDNRANSD2MAPTSMN1; SMN2
SCHEMBL1793262 0.81 ALOX5AP (0.40) NSD2MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL22409141 0.81 POLB (0.49) EDNRBEDNRAMAPTKDM4ELMNA
SCHEMBL29401375 0.81 POLB (0.49) EDNRBEDNRAMAPTKDM4ELMNA
SCHEMBL1793056 0.79 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1
SCHEMBL20807647 0.79 NSD2 (0.45) NSD2MAPTSMN1; SMN2RAB9AKDM4E

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