SCHEMBL29197967

SCHEMBL29197967

NNC1C(=O)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
GSK3B P49841 2/20 0.45
TDO2 P48775 2/20 0.43
BRPF1 P55201 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 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
SCHEMBL24754644 0.81 IDO1 (0.46) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL28859743 0.81 IDO1 (0.46) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL28827997 0.78 IDO1 (0.44) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL10615171 0.78 IDO1 (0.44) IDO1GSK3BTDO2MAPTKDM4E
SCHEMBL8226202 0.77 MAPT (0.43) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL1491212 0.74 KDM4E (0.47) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL30900692 0.74 IDO1 (0.55) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL2543645 0.74 IDO1 (0.55) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL28169655 0.74 IDO1 (0.55) IDO1GSK3BTDO2BRPF1CREBBP
SCHEMBL19000599 0.73 IDO1 (0.51) IDO1TDO2MAPTKDM4ENPC1

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-117700349-A Method for synthesizing oxindole hydrazone compound 重庆科技学院 2024-03-15 CN disclosed
CN-117700349-A Method for synthesizing oxindole hydrazone compound 重庆科技学院 2024-03-15 CN disclosed