SCHEMBL24761960

SCHEMBL24761960

CCCN(C1CCN(C(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CACNA1B Q00975 2/20 0.43
▸ RORC P51449 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ USP2 O75604 1/20 0.42

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
SCHEMBL24761962 0.90 CACNA1B (0.43) ALDH1A1NPSR1ALOX15TP53MAPK1
SCHEMBL27238549 0.90 CACNA1B (0.43) ALDH1A1NPSR1ALOX15TP53MAPK1
SCHEMBL29764425 0.90 CACNA1B (0.43) ALDH1A1NPSR1ALOX15TP53MAPK1
SCHEMBL27238545 0.82 CA12 (0.41) ALDH1A1NPSR1CACNA1BCACNA1CHTR2A
SCHEMBL24762020 0.76 ALDH1A1 (0.35) ALDH1A1NPSR1KMT2ACYP3A4CYP2C19
SCHEMBL24762224 0.76 PDK2 (0.43) ALDH1A1MAPK1KMT2ARORCPDK2
SCHEMBL24762022 0.73 GPR119 (0.48) ALDH1A1NPSR1ALOX15TP53MAPK1
SCHEMBL4776446 0.71 HPGD (0.48) ALDH1A1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL13209476 0.70 CACNA1B (0.45) ALDH1A1NPSR1ALOX15TP53MAPK1
SCHEMBL4123186 0.70 CCR5 (0.47) ALDH1A1MAPK1LMNAHTTHTR2A

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
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 — — WO disclosed
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