SCHEMBL25424201

SCHEMBL25424201

CC(C)(C)OC(N)=O.CCCOCc1nn(C)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALPL P05186 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL25826817 0.79 ADORA2A (0.41) ALDH1A1
SCHEMBL31465653 0.78 SSTR4 (0.34) SMN1; SMN2
SCHEMBL28918768 0.75 NPC1 (0.38) TP53MEN1MAPTHPGDKMT2A
SCHEMBL25826819 0.72 PPARA (0.37) ALDH1A1
SCHEMBL31465655 0.71 NPSR1 (0.34) ALDH1A1
SCHEMBL25826914 0.71 NPSR1 (0.34) ALDH1A1
SCHEMBL29456690 0.69 KDM4E (0.44) NPC1RAB9AKDM4EALDH1A1ATM
SCHEMBL29456675 0.69 SSTR4 (0.44) TP53MEN1MAPTHPGDKMT2A
SCHEMBL29385268 0.69 HTR2C (0.39) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL15886006 0.68 PRMT5 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed