SCHEMBL29948831

SCHEMBL29948831

CC#Cc1ccccc1NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 3/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.34
PABPC1 P11940 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2757856 1.00 MAPT (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14494496 0.78 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27251795 0.78 TSHR (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18440056 0.78 MAPT (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6364807 0.77 CYP1A2 (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1343863 0.74 KDM4E (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10430895 0.74 POLB (0.43) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL244118 0.74 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29565140 0.74 KDM4E (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11117971 0.74 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10

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-115028568-B Synthesis method of 3-selenoindole compound promoted by visible light 南通大学 2023-12-19 CN disclosed
CN-115028568-A Synthesis method of visible light promoted 3-selenoindole compound 南通大学 2022-09-09 CN disclosed