SCHEMBL29024486

SCHEMBL29024486

CC(C)COc1ccc(Cn2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.46
YAP1 P46937 3/20 0.45
GPR119 Q8TDV5 2/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 1/20 0.41

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
SCHEMBL29024635 0.84 TP53 (0.39) PRMT5MAPTFAAHTP53LMNA
SCHEMBL29024491 0.83 LMNA (0.49) GPR119MAPTMEN1KMT2ATDP1
SCHEMBL5447888 0.83 CCR5 (0.50) PRMT5GPR119GAAHPGDMAPT
SCHEMBL29024487 0.82 HRH1 (0.40) PRMT5MAPTMEN1KMT2AFAAH
SCHEMBL7589724 0.78 MAPT (0.50) PRMT5GPR119GAAHPGDMAPT
SCHEMBL30478104 0.77 FAAH (0.37) MAPTMEN1KMT2AFAAHLMNA
SCHEMBL29024637 0.77 HTR2A (0.47)
SCHEMBL7605901 0.72 JAK2 (0.46) GPR119GAATHRBSMN1; SMN2STS
SCHEMBL29024482 0.72 HTR2A (0.40)
SCHEMBL5451783 0.71 CCR5 (0.54) GPR119GAATHRBSMN1; SMN2STS

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-116354925-A Pyrazole derivatives and use thereof 江苏恩华药业股份有限公司 2023-06-30 CN disclosed