SCHEMBL29225754

SCHEMBL29225754

CC1(C)OC(=O)c2cc(CBr)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GSTP1 P09211 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 7/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL1165753 0.87 TSHR (0.36) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL3537702 0.85 TSHR (0.38) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL2472068 0.84 PDPK1 (0.37) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL25961101 0.80 TDP1 (0.43) SMN1; SMN2LMNAHPGDL3MBTL1TDP1
SCHEMBL11630777 0.79 ALOX15 (0.51) TSHRALOX15ALOX12SMN1; SMN2NPC1
SCHEMBL3524389 0.78 ALDH1A1 (0.44) TSHRLMNAMAPTL3MBTL1ALDH1A1
SCHEMBL29690270 0.78 ALDH1A1 (0.44) TSHRLMNAMAPTL3MBTL1ALDH1A1
Acetic Acid SCHEMBL2470427 0.78 SMN1; SMN2 (0.38) ALOX15ALOX12SMN1; SMN2LMNANPC1
SCHEMBL26564766 0.78 FFAR1 (0.42) CDC25B
SCHEMBL734522 0.76 KDM4E (0.47) TSHRSMN1; SMN2LMNANPC1RAB9A

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
CN-118108676-B Benzenesulfonamide compound, pharmaceutical composition and application thereof 中国药科大学 2025-02-07 CN disclosed
CN-118108676-A Benzenesulfonamide compound, pharmaceutical composition and application thereof 中国药科大学 2024-05-31 CN disclosed