SCHEMBL31684036

SCHEMBL31684036

O=S(=O)(c1cccc(Cl)c1Cl)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 1.00
KMT2A Q03164 4/20 0.70
LMNA P02545 3/20 0.70
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 1/20 0.67
MAPK1 P28482 2/20 0.66
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRM4 P08173 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
MYLK Q15746 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL493231 1.00 TSHR (1.00) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL4555453 0.85 TSHR (0.78) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL31684034 0.85 TSHR (0.78) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL4001953 0.84 TSHR (0.72) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL10719519 0.83 SMN1; SMN2 (0.80) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL1299167 0.81 TSHR (0.68) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL3640880 0.80 TSHR (0.67) TSHRKMT2ALMNACYP3A4CYP2C9
SCHEMBL2960625 0.79 TSHR (0.65) TSHRKMT2ALMNAMAPTMEN1
SCHEMBL23498098 0.78 TSHR (0.63) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL29784717 0.78 TSHR (0.63) TSHRKMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4072671-B1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY CENTESSA PHARMACEUTICALS UK LTD (GB) 2025-09-17 EP claimed