SCHEMBL30846209

SCHEMBL30846209

CCc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(-c2ccnc(C(F)(F)F)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 2/20 0.38
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC40A1 Q9NP59 2/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ ELANE P08246 3/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33

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
SCHEMBL27122387 1.00 MLNR (0.38) MLNROXTRAVPR1ACYP2D6PSEN1
SCHEMBL27214916 0.86 SLC40A1 (0.39) MLNROXTRAVPR1ASLC40A1SCN9A
SCHEMBL30846294 0.86 SLC40A1 (0.39) MLNROXTRAVPR1ASLC40A1SCN9A
SCHEMBL27116434 0.83 MLNR (0.36) MLNROXTRAVPR1ACYP3A4SLC40A1
SCHEMBL27132346 0.80 RXRA (0.38) OXTRAVPR1ACYP2D6PSEN1PSEN2
SCHEMBL30848041 0.80 RXRA (0.38) OXTRAVPR1ACYP2D6PSEN1PSEN2
SCHEMBL27122378 0.78 MCL1 (0.37) MLNRSLC40A1
SCHEMBL30847942 0.78 SLC40A1 (0.32) OXTRAVPR1ASLC40A1GRIN1GRIN2B
SCHEMBL30847962 0.78 GAA (0.32) OXTRAVPR1ASLC40A1ELANESCN9A
SCHEMBL27132539 0.78 SLC40A1 (0.32) OXTRAVPR1ASLC40A1GRIN1GRIN2B

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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