SCHEMBL30729429

SCHEMBL30729429

C=CCc1ccccc1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 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
SCHEMBL6046931 1.00 MAPT (0.45) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL11034063 0.94 ADRA2B (0.44) MAPTMEN1KMT2AKDM4ETDP1
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL11874052 0.93 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL1702787 0.89 ADRA2B (0.41) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL176287 0.88 ADRA2C (0.47) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7757717 0.87 ADRA2B (0.40) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL31530697 0.86 MEN1 (0.48) MAPTMEN1KMT2AKDM4ETDP1
Ammonia Solution, Strong SCHEMBL20481810 0.84 MAPT (0.51) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL23491114 0.82 MAPT (0.40) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3635728 0.81 MAPT (0.45) MAPTMEN1KMT2AKDM4ETDP1

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-117285453-A Method for synthesizing N-substituted-3-methylindole compound by catalyzing nitrogen heterocyclic carbene oxazoline ring palladium compound 南京林业大学 2023-12-26 CN disclosed