SCHEMBL30810230

SCHEMBL30810230

COc1cc(C(F)(F)F)ccc1NC(N)=S

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KIF11 P52732 2/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LRRK2 Q5S007 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6114199 0.88 MAPT (0.51) ALDH1A1HPGDKIF11MAPTMEN1
SCHEMBL30810264 0.81 KIF11 (0.51) ALDH1A1KIF11MAPTMEN1KMT2A
SCHEMBL2590631 0.78 ALDH1A1 (0.75) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL30356244 0.78 ALDH1A1 (0.75) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL30356271 0.78 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AEPHX1GAA
SCHEMBL21983781 0.76 KIF11 (0.50) ALDH1A1KIF11MAPTMEN1KMT2A
SCHEMBL31126473 0.76 ALDH1A1 (0.72) ALDH1A1KIF11MAPTMEN1KMT2A
SCHEMBL6833581 0.76 ALDH1A1 (0.72) ALDH1A1KIF11MAPTMEN1KMT2A
SCHEMBL31384756 0.75 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL5438272 0.74 KIF11 (0.67) ALDH1A1HPGDKIF11MAPTMEN1

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-4583870-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Mito Biopharma, LLC (US) 2025-07-16 EP disclosed
WO-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed