SCHEMBL7102383

SCHEMBL7102383

CCCC(Br)CCS(=O)(=O)O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
APP P05067 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 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
SCHEMBL15754668 0.76 S1PR2 (0.36) S1PR2S1PR1S1PR3TP53PTGS1
SCHEMBL7103583 0.76 CA2 (0.33) CA12CA1CA2CA7CA14
SCHEMBL2210119 0.75 CA12 (0.40) S1PR2S1PR1S1PR3TP53CA12
SCHEMBL7102380 0.74 ENPEP (0.41) TP53CA12CA1CA2CA7
SCHEMBL27860701 0.74 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11510821 0.73 S1PR2 (0.37) S1PR2S1PR1S1PR3TP53CA12
SCHEMBL28594594 0.73 S1PR2 (0.37) S1PR2S1PR1S1PR3TP53CA12
SCHEMBL5637992 0.73 TSHR (0.44) S1PR2S1PR1S1PR3TP53CA12
SCHEMBL1001541 0.72
SCHEMBL29714065 0.71 CA2 (0.38) S1PR2S1PR1S1PR3TP53CA12

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-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed
EP-1020437-A1 PROCESS FOR PRODUCING HALOGENOALKYLSULFONAMIDE DERIVATIVES Azwell Inc. (JP) 2000-07-19 EP disclosed