SCHEMBL29610667

SCHEMBL29610667

Cc1cc(/C=N/[S@+]([O-])C(C)(C)C)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ NPFFR1 Q9GZQ6 3/20 0.31
▸ NPFFR2 Q9Y5X5 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 1/20 0.30

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
SCHEMBL29089985 1.00 MAPK1 (0.32) MAPK1NPFFR1NPFFR2ALDH1A1GPR3
SCHEMBL29089982 1.00 MAPK1 (0.32) MAPK1NPFFR1NPFFR2ALDH1A1GPR3
SCHEMBL4933334 0.85 ALDH1A1 (0.34) ALDH1A1GPR3
SCHEMBL4933332 0.85 ALDH1A1 (0.34) ALDH1A1GPR3
SCHEMBL24664609 0.83 MGAM (0.34) NPFFR1NPFFR2GPR3
SCHEMBL29231181 0.83 MGAM (0.34) NPFFR1NPFFR2GPR3
SCHEMBL29820713 0.83 MGAM (0.34) NPFFR1NPFFR2GPR3
SCHEMBL31369258 0.83 MGAM (0.34) NPFFR1NPFFR2GPR3
SCHEMBL29231184 0.83 MGAM (0.34) NPFFR1NPFFR2GPR3
SCHEMBL12373121 0.81 TSHR (0.33) NPFFR1NPFFR2ALDH1A1GPR3

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
Send feedback