SCHEMBL29022586

SCHEMBL29022586

O=S(=O)(NCCCN1CCN(CCCc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.69
▸ ALDH1A1 P00352 2/20 0.59
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ MBTD1 Q05BQ5 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HTR2A P28223 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL25758613 0.96 HTR7 (0.64) HTR7ALDH1A1TP53GAASIGMAR1
SCHEMBL24069058 0.90 HTR7 (0.85) HTR7ALDH1A1HTR1AMBTD1L3MBTL1
SCHEMBL29022575 0.88 HTR7 (0.57) HTR7ALDH1A1TP53GAASIGMAR1
SCHEMBL13889021 0.85 ALDH1A1 (0.81) ALDH1A1TP53GAAMAPTPOLB
SCHEMBL29022599 0.85 HTR1A (0.74) HTR7HTR1AKMT2AHTR2A
SCHEMBL25758620 0.84 HTR7 (0.53) HTR7ALDH1A1TP53GAASIGMAR1
SCHEMBL12672472 0.84 HTR7 (0.83) HTR7ALDH1A1HTR1AMBTD1L3MBTL1
SCHEMBL24069429 0.83 SLC6A2 (0.63) HTR7SIGMAR1MAPTKMT2AKCNH2
SCHEMBL25758490 0.82 HTR7 (0.72) HTR7ALDH1A1GAASIGMAR1MAPT
SCHEMBL30375512 0.82 TAAR1 (0.53) HTR7ALDH1A1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157124-A Sulfonamide derivative and pharmaceutical composition for preventing or treating mental diseases containing the same as active ingredient 大邱庆北尖端医疗产业振兴财团 2023-05-23 — — CN claimed
CN-116157124-A Sulfonamide derivative and pharmaceutical composition for preventing or treating mental diseases containing the same as active ingredient 大邱庆北尖端医疗产业振兴财团 2023-05-23 — — CN disclosed
EP-4159718-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 — — EP disclosed
Send feedback