SCHEMBL28980342

SCHEMBL28980342

CC(=O)N(N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SERPINE1 P05121 1/20 0.42
ACACB O00763 1/20 0.41
EPHX1 P07099 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KMT2A Q03164 2/20 0.40

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
Hydrochloric Acid SCHEMBL28849635 0.98 EPHX2 (0.45) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8386558 0.84 EPHX2 (0.47) EPHX2SERPINE1EPHX1TRPV1SLC6A2
SCHEMBL15504635 0.81 MAPT (0.57) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL594774 0.79 MAPT (0.43) EPHX2HDAC3HDAC1HDAC2SERPINE1
SCHEMBL28904603 0.78 CA1 (0.48) POLBKMT2AMEN1NPC1TSHR
SCHEMBL28486440 0.78 SERPINE1 (0.47) EPHX2HDAC8SERPINE1EPHX1KMT2A
Hydrochloric Acid SCHEMBL5797916 0.77 GRIN2B (0.47) TRPV1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL3597003 0.77 SMN1; SMN2 (0.46) EPHX2HDAC6
SCHEMBL12638458 0.76 SERPINE1 (0.46) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13871456 0.76 EPHX2 (0.46) EPHX2HDAC3HDAC4HDAC1HDAC7

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