SCHEMBL28762086

SCHEMBL28762086

CN(C)S(=O)(=O)c1ccccc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PDE2A O00408 1/20 0.49
▸ PDE5A O76074 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ PDE7A Q13946 1/20 0.49
▸ PDE1C Q14123 1/20 0.49

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
SCHEMBL28762146 0.77 TRPV4 (0.50) MEN1KMT2ANPC1RAB9ACES2
SCHEMBL13714272 0.75 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPK1POLB
SCHEMBL30435123 0.73 MAPK1 (0.60) ALDH1A1MAPK1POLBCA1CA2
SCHEMBL27183074 0.73 SRD5A2 (0.66) ATMALDH1A1MEN1KMT2ARAB9A
SCHEMBL11301789 0.73 MAPK1 (0.60) ALDH1A1MAPK1POLBCA1CA2
SCHEMBL11059943 0.72 LMNA (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10903201 0.72 MAPK1 (0.62) ALDH1A1MEN1KMT2ARAB9AMAPK1
SCHEMBL474783 0.72 MEN1 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10373812 0.72 GAA (0.62) ALDH1A1RAB9AMAPK1POLBCA12
SCHEMBL8537295 0.72 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1POLBCA1

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
CN-114502533-A Benzenesulfonamide derivatives and use thereof 2692372安大略公司 2022-05-13 — — CN disclosed
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