SCHEMBL6975706

SCHEMBL6975706

CC(=O)c1ccc(NS(=O)(=O)NC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.46
GAA P10253 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11675232 0.80 MAPT (0.56) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL4883021 0.79 CA12 (0.70) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL11676039 0.79 MAPT (0.73) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL6985939 0.79 HPGD (0.67) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL12109051 0.77 CA1 (0.52) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL11676103 0.76 MAPT (0.55) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL11673814 0.76 HPGD (0.53) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL4624606 0.76 HPGD (0.64) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL8312186 0.76 KEAP1 (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12376738 0.75 SLC1A3 (0.60) MAPTHPGDALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113230240-B 1,3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2022-12-27 CN disclosed
CN-113230240-A 1, 3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2021-08-10 CN disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed