SCHEMBL31684034

SCHEMBL31684034

O=S(=O)(c1ccccc1Cl)N1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
CHRM4 P08173 2/20 0.68
MAPT P10636 3/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
ALOX15 P16050 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.55

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
SCHEMBL4555453 1.00 TSHR (0.78) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL10723724 0.90 CHRM4 (0.64) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL493231 0.85 TSHR (1.00) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL31684036 0.85 TSHR (1.00) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL2963267 0.84 KDM4E (0.67) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL4148177 0.83 TSHR (0.54) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL3244492 0.83 CYP3A4 (0.74) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL27974780 0.83 CHRM4 (0.54) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL5247397 0.83 KMT2A (0.59) TSHRCYP3A4CYP2C9CYP2C19CHRM4
SCHEMBL10719519 0.82 SMN1; SMN2 (0.80) TSHRCYP3A4CYP2C9CYP2C19MAPT

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