SCHEMBL8560865

SCHEMBL8560865

CCCCCC(C)NS(=O)(=O)c1ccc(CC2(C)N=c3ccccc3=N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
NR3C1 P04150 1/20 0.39
HSD17B10 Q99714 1/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP12 P39900 3/20 0.36
MMP14 P50281 3/20 0.36
HTR7 P34969 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9502025 0.87 ALDH1A1 (0.47) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL9502208 0.85 ALDH1A1 (0.64) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL9299658 0.78 DUT (0.48) SMN1; SMN2CA2ALDH1A1CYP1A2CYP2C9
SCHEMBL9502675 0.77 CA2 (0.51) CA2CA9ALDH1A1CYP1A2CYP2C9
SCHEMBL28716257 0.76 SMN1; SMN2 (0.77) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL18896449 0.76 SMN1; SMN2 (0.77) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL8134454 0.76 GAA (0.47) MMP2MMP9
SCHEMBL8561981 0.76 CA2 (0.56) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL8134055 0.75 MMP2 (0.43) MMP2MMP9MEN1KMT2AL3MBTL1
SCHEMBL30444747 0.74 SMN1; SMN2 (0.64) SMN1; SMN2CA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO claimed
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