SCHEMBL30846492

SCHEMBL30846492

Cn1cc(-c2ccc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ SLC40A1 Q9NP59 6/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ BRD4 O60885 2/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ AGTR1 P30556 1/20 0.36

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
SCHEMBL27117954 1.00 PIK3CD (0.39) PIK3CDPIK3CBMTORPIK3CGSLC40A1
SCHEMBL27118386 0.87 PTPN11 (0.40) MTORSLC40A1EIF2AK3PTPN11
SCHEMBL27122988 0.87 SLC40A1 (0.37) SLC40A1EIF2AK3ALDH1A1OPRK1HTT
SCHEMBL27118195 0.86 SLC40A1 (0.40) SLC40A1EIF2AK3ALDH1A1OPRK1HTT
SCHEMBL27118078 0.86 SLC40A1 (0.42) SLC40A1ALDH1A1OPRK1HTTNPSR1
SCHEMBL27118193 0.86 SLC40A1 (0.40) SLC40A1EIF2AK3ALDH1A1OPRK1HTT
SCHEMBL30846306 0.86 SLC40A1 (0.42) SLC40A1ALDH1A1OPRK1HTTNPSR1
SCHEMBL30846465 0.86 SLC40A1 (0.40) SLC40A1EIF2AK3ALDH1A1OPRK1HTT
SCHEMBL30846276 0.86 SLC40A1 (0.40) SLC40A1EIF2AK3ALDH1A1OPRK1HTT
SCHEMBL30846443 0.85 SLC40A1 (0.48) SLC40A1BRD4ALDH1A1OPRK1HTT

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-2024044344-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 — — WO disclosed
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