SCHEMBL31316767

SCHEMBL31316767

C=CCC(N[S+]([O-])C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
PYCR1 P32322 1/20 0.30

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
SCHEMBL19578925 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL25495773 0.87 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL25495772 0.87 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL16564870 0.87 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL16564884 0.87 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL25264994 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL30360115 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL25189956 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL25264993 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL31471427 0.87 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1CYP1A2

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed