SCHEMBL29079028

SCHEMBL29079028

O=c1cc(Br)ccn1CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
GRIA2 P42262 1/20 0.40
GRIN2A Q12879 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE1C Q14123 3/20 0.38
MAPK8 P45983 2/20 0.38
CNR1 P21554 1/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
CYP1B1 Q16678 2/20 0.37
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1035189 0.93 PI4KA (0.45) HTR7GRIA2GRIN2APIK3CDPIK3CA
SCHEMBL1346670 0.79 GRIA2 (0.42) GRIA2GRIN2APIK3CDPIK3CAPI4KA
SCHEMBL1346577 0.77 GRIA2 (0.43) GRIA2GRIN2APIK3CDPIK3CAPI4KA
SCHEMBL1524006 0.77 PI4KA (0.40) GRIA2GRIN2APIK3CDPIK3CAPI4KA
SCHEMBL29079038 0.76 PI4KA (0.38) GRIA2GRIN2APIK3CDPIK3CAPI4KA
SCHEMBL31108104 0.74 FPR2 (0.51) KDM4E
SCHEMBL28163311 0.74 HTR7 (0.62) HTR7HPGDCNR1KDM4EALDH1A1
SCHEMBL27858932 0.74 CNR1 (0.32) HTR7KMT2ACNR1KDM4EALDH1A1
SCHEMBL1039375 0.72 PI4KA (0.45) GRIA2GRIN2APIK3CDPIK3CAPI4KA
SCHEMBL26006408 0.72 GRIA2 (0.48) GRIA2GRIN2APIK3CDPIK3CAPI4KA

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
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed