SCHEMBL9302583

SCHEMBL9302583

O=S(=O)(NC1CCCCC1)c1ccc(CBr)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 1/20 0.71
RECQL P46063 1/20 0.71
MAPK1 P28482 1/20 0.69
HTT P42858 1/20 0.69
ALDH1A1 P00352 7/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 4/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.54
GLA P06280 1/20 0.52

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
SCHEMBL14844102 0.92 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL12188930 0.84 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL20946378 0.84 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL12189228 0.82 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL13846055 0.81 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL10082160 0.81 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL12719599 0.81 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL2834532 0.81 MAPK1 (1.00) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL12315297 0.80 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERECQLMAPK1HTT
SCHEMBL21292902 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERECQLMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed