SCHEMBL28636987

SCHEMBL28636987

CCc1cccc(CNNc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GAA P10253 1/20 0.38
HDAC4 P56524 2/20 0.38
MEF2D Q14814 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL28636989 0.89 RAPGEF4 (0.46) TP53RAPGEF4SMN1; SMN2MAPTSIGMAR1
SCHEMBL2425837 0.80 TDP1 (0.52) MAPTALDH1A1ALOX12CTSDTDP1
Benzene SCHEMBL9785236 0.76 TP53 (0.67) TP53RAPGEF4SMN1; SMN2MAPTALDH1A1
SCHEMBL28200859 0.76 RAPGEF4 (0.50) RAPGEF4SMN1; SMN2MAPTALDH1A1SIGMAR1
SCHEMBL73008 0.74 HTT (0.53) TP53RAPGEF4SMN1; SMN2HDAC4MEF2D
Hydrogen Peroxide SCHEMBL11520377 0.73 TP53 (0.63) TP53RAPGEF4SMN1; SMN2MAPTSIGMAR1
SCHEMBL4701514 0.73 RAPGEF4 (0.61) TP53RAPGEF4SMN1; SMN2MAPTALDH1A1
SCHEMBL166894 0.73 TP53 (0.61) TP53RAPGEF4SMN1; SMN2MAPTALDH1A1
SCHEMBL21969785 0.73 RAPGEF4 (0.47) RAPGEF4SMN1; SMN2MAPTALDH1A1SIGMAR1
SCHEMBL14294850 0.73 MAPT (0.50) SMN1; SMN2MAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134281-B Method for synthesizing m-dialkylaminophenol 浙江山峪科技股份有限公司 2021-10-08 CN disclosed
CN-109020827-B Method for synthesizing m-dialkylaminophenol 浙江山峪集团股份有限公司 2021-04-27 CN disclosed