SCHEMBL31528488

SCHEMBL31528488

CC(C)(O)c1cn2ccc(Br)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.36
METTL3 Q86U44 2/20 0.36
HDAC4 P56524 1/20 0.35
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
AHR P35869 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HDAC1 Q13547 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
SUV39H2 Q9H5I1 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL20985943 0.81 TLR9 (0.47) KDM4ENPC1RAB9AMCHR1HDAC4
SCHEMBL12498191 0.80 HDAC4 (0.47) KDM4ENPC1RAB9AMETTL3HDAC4
SCHEMBL31528637 0.78 MCHR1 (0.34) KDM4ENPC1RAB9AMCHR1HDAC4
SCHEMBL20985954 0.77 METTL3 (0.46) KDM4ENPC1RAB9AMETTL3POLB
SCHEMBL31309594 0.77 PIK3CG (0.51) KDM4ENPC1RAB9AMCHR1ALDH1A1
SCHEMBL1426603 0.74 HDAC1 (0.50) KDM4ENPC1RAB9AMETTL3POLB
SCHEMBL31528509 0.74 METTL3 (0.44) KDM4ENPC1RAB9AMETTL3POLB
SCHEMBL31528556 0.73 NPC1 (0.44) KDM4ENPC1RAB9AMETTL3POLB
SCHEMBL13633452 0.70 PIK3CG (0.56) KDM4ENPC1RAB9AMETTL3POLB
SCHEMBL1426874 0.70 METTL3 (0.46) KDM4ENPC1RAB9AMETTL3POLB

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-2025077671-A1 POLYSUBSTITUTED ARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2025-04-17 WO disclosed