SCHEMBL29405137

SCHEMBL29405137

CCCCN1C(=O)c2cccc3cc(NC(=O)OC4CSSC4)cc(c23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 1/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 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
SCHEMBL27339723 0.81 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14557208 0.81 KLK7 (0.57) FTOCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL19872906 0.74 MEN1 (0.53) FTOCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11447384 0.72 RAD52 (0.60) FTOCYP1A2CYP3A4CYP2C19RXFP1
SCHEMBL10717644 0.72 FTO (0.49) FTOCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11447427 0.72 FTO (0.66) FTOCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL14560566 0.72 HDAC3 (0.56) FTOCYP1A2CYP3A4CYP2D6RXFP1
SCHEMBL3851575 0.71 KMT2A (0.67) FTOCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6278202 0.71 HEXA (0.71) CYP3A4ALDH1A1MAPTHPGDMEN1
SCHEMBL8671343 0.70 KLK7 (0.51) FTOCYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136949-A Preparation method of glycyrrhetinic acid-gold (I) compound and application thereof in liver cancer 南京中医药大学 2025-06-13 — — CN disclosed
EP-4561989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH PARASITIC WORMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-06-04 — — EP disclosed
WO-2025068946-A1 POSITIVELY CHARGED NAF-1 DERIVED PEPTIDES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2025-04-03 — — WO disclosed
CN-119634720-A Preparation method of gold (I) albumin nanoparticle and application of gold (I) albumin nanoparticle in anti-tumor activity 南京中医药大学 2025-03-18 — — CN disclosed
CN-115260097-B 5-Methylphenidate compound and application thereof in preparation of drugs or probes for reducing or detecting thioredoxin reductase level 兰州大学 2024-09-13 — — CN disclosed
CN-115043878-B Biotinylated gold (I) complex with tumor targeting function, and preparation method and application thereof 上海市第一人民医院 2024-02-27 — — CN disclosed
CN-115260097-A 5-methylphenanthridine compound and application thereof in preparing drug or probe for reducing or detecting thioredoxin reductase level 兰州大学 2022-11-01 — — CN disclosed
CN-115043878-A Biotinylated gold (I) complex with tumor targeting function and preparation method and application thereof 上海市第一人民医院 2022-09-13 — — CN disclosed
CN-111995619-B Mitochondrial-targeted thioredoxin reductase fluorescent probe and preparation method and application thereof 广州医科大学附属第二医院 2022-02-25 — — CN disclosed
Send feedback