SCHEMBL29798204

SCHEMBL29798204

O=C(O)c1ccccc1-n1nnnc1SCC(=O)N1CCc2cc(C3CC3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.61
▸ APOBEC3A P31941 1/20 0.61
▸ APOBEC3G Q9HC16 1/20 0.61
▸ ALDH1A1 P00352 14/20 0.54
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.50
▸ ALOX15 P16050 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL21952063 0.85 TSHR (0.62) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL29798048 0.85 TSHR (0.62) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952088 0.83 TSHR (0.51) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL30278746 0.83 TSHR (0.51) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL29798080 0.82 CYP11B2 (0.58) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL29798026 0.82 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL29798321 0.79 CPB1 (0.47) TSHRALDH1A1LMNAMAPK1HSD17B10
SCHEMBL21952071 0.76 TSHR (0.52) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL30278740 0.76 TSHR (0.52) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL28669428 0.76 TSHR (0.63) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA

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
EP-4149461-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2023-03-22 — — EP disclosed
WO-2021229035-A9 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2022-09-09 — — WO disclosed
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