SCHEMBL29611356

SCHEMBL29611356

Cc1cc([C@H](N[S@+]([O-])C(C)(C)C)C(F)(F)F)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
S1PR1 P21453 2/20 0.31

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
SCHEMBL31369213 0.86
SCHEMBL25420831 0.84 WDR5 (0.32) S1PR1
SCHEMBL30362104 0.83 PARP1 (0.30)
SCHEMBL25417886 0.83 PDE2A (0.34) S1PR1
SCHEMBL25417885 0.83 PDE2A (0.34) S1PR1
SCHEMBL30438245 0.83 PDE2A (0.34) S1PR1
SCHEMBL25417878 0.83 PDE2A (0.34) S1PR1
SCHEMBL31391864 0.83 ALDH1A1 (0.34)
SCHEMBL18854460 0.81 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL167261 0.81 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673150-A2 COMPOSITIONS AND METHODS FOR TREATING MALT1 ASSOCIATED DISEASES Rarefied Biosciences, Inc. (US) 2026-01-07 EP disclosed
WO-2024182599-A2 COMPOSITIONS AND METHODS FOR TREATING MALT1 ASSOCIATED DISEASES RAREFIED BIOSCIENCES, INC. (US) 2024-09-06 WO disclosed
EP-4228647-A1 MALT1 MODULATORS AND USES THEREOF Rheos Medicines, Inc. (US) 2023-08-23 EP disclosed
WO-2022081967-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2022-04-21 WO disclosed