SCHEMBL28980348

SCHEMBL28980348

CC(=O)Nn1ccc2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 2/20 0.40
KRAS P01116 1/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNQ4 P56696 2/20 0.40
KCNQ5 Q9NR82 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 1/20 0.37
CFTR P13569 1/20 0.36

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
SCHEMBL28980363 0.79 DYRK1A (0.43) DYRK1AKCNQ3KCNQ2KMT2AADORA3
SCHEMBL28980350 0.78 FABP4 (0.41) MEN1KMT2AALDH1A1RXFP1
SCHEMBL28980330 0.77 MCL1 (0.43) CYP1A2CYP2C9CYP2C19DYRK1AKRAS
SCHEMBL28980321 0.77 OXER1 (0.43) DYRK1AKRASKMT2ARORCALDH1A1
SCHEMBL28980358 0.75 MTNR1A (0.50) ALDH1A1
SCHEMBL28980345 0.73 DYRK1A (0.40) DYRK1ARORCALDH1A1
SCHEMBL30371592 0.73 NOTUM (0.55) CYP1A2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL10973432 0.73 NOTUM (0.55) CYP1A2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL668763 0.72 PIM1 (0.43) KRASMEN1KMT2AALDH1A1KCNH2
SCHEMBL31517105 0.72 KCNH2 (0.41) KRASKCNQ3KCNQ2KCNQ4KCNQ5

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-115894326-B 2, 3-Hydrogen substituted aminoindole derivative, preparation method and application thereof 佛山大学 2025-02-11 CN disclosed
CN-115894326-A 2,3-hydrogen substituted aminoindole derivative, preparation method and application thereof 佛山科学技术学院 2023-04-04 CN disclosed