SCHEMBL25072255

SCHEMBL25072255

Cc1ccc(CN2OCC(C)(C)C2=O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
MAP2K1 Q02750 1/20 0.35
KMT2A Q03164 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
IGF1R P08069 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25072256 0.85 BRD4 (0.47) BRD4MAP2K1KMT2AOPRM1OPRK1
SCHEMBL30750917 0.85 BRD4 (0.47) BRD4MAP2K1KMT2AOPRM1OPRK1
SCHEMBL11193050 0.85 BRD4 (0.42) BRD4MAP2K1
SCHEMBL10743569 0.82 BRD4 (0.40) BRD4MAP2K1
SCHEMBL10460162 0.82 BRD4 (0.40) BRD4MAP2K1KMT2APOLBMAPT
SCHEMBL10458946 0.78 BRD4 (0.61) BRD4KMT2ARAB9APOLBTSHR
SCHEMBL10740161 0.78 BRD4 (0.38) BRD4MAP2K1POLBTSHR
SCHEMBL11199755 0.77 BRD4 (0.40) BRD4MAP2K1MAPK1
SCHEMBL11195728 0.77 BRD4 (0.54) BRD4MAP2K1RAB9ANPC1SMN1; SMN2
SCHEMBL7615597 0.74 PTGS1 (0.45) BRD4KMT2APOLBTSHRMAPT

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-2023020274-A1 3-ISOXAZOLIDINONE COMPOUND AND REPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2023-02-23 WO disclosed