SCHEMBL8561981

SCHEMBL8561981

CCCCCC(C)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NR3C1 P04150 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
AKT1 P31749 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL12656355 0.84 CA12 (0.57) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL20988329 0.81 CA2 (0.57) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL2632891 0.81 CA2 (0.57) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL28716257 0.81 SMN1; SMN2 (0.77) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL18896449 0.81 SMN1; SMN2 (0.77) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL20988632 0.79 ALDH1A1 (0.62) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL30444747 0.79 SMN1; SMN2 (0.64) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL7021143 0.78 NPSR1 (0.59) CA2CA12CA9ALDH1A1POLB
SCHEMBL4175111 0.78 SMN1; SMN2 (0.55) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL12575138 0.78 CA2 (0.60) CA2CA12CA9SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed