SCHEMBL9560914

SCHEMBL9560914

CC[S+]([O-])n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 6/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 4/20 0.41
▸ TNF P01375 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL2794591 0.80 TDP1 (0.46) TDP1LMNASMN1; SMN2HTTTSHR
SCHEMBL636638 0.80 CYP11B1 (0.50) TDP1LMNASMN1; SMN2HTTTSHR
SCHEMBL1618548 0.80 TDP1 (0.48) TDP1LMNASMN1; SMN2HTTCYP11B1
SCHEMBL9236926 0.79 TDP1 (0.42) TDP1LMNASMN1; SMN2HTTTSHR
SCHEMBL2802532 0.79 TDP1 (0.44) TDP1LMNASMN1; SMN2HTTTSHR
SCHEMBL22475379 0.77 TDP1 (0.46) TDP1LMNASMN1; SMN2HTTCYP11B1
SCHEMBL9092595 0.77 TDP1 (0.46) TDP1LMNASMN1; SMN2HTTCYP11B1
SCHEMBL630973 0.76 POLB (0.43) TDP1LMNASMN1; SMN2HTTTSHR
SCHEMBL10587534 0.72 POLB (0.39) TDP1LMNASMN1; SMN2HTTCYP11B1
SCHEMBL5984224 0.72 RAB9A (0.41) SMN1; SMN2HTTPOLBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548103-A1 USE OF PYRIDYLMETHYLSULPHINYL-1H-BENZIMIDAZOLE DERIVATES IN THE TREATMENT OF ILLNESSES CAUSED BY HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-06-30 — — EP disclosed
WO-1992004898-A1 USE OF PYRIDYLMETHYLSULPHINYL-1H-BENZIMIDAZOLE DERIVATES IN THE TREATMENT OF ILLNESSES CAUSED BY HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-04-02 — — WO disclosed
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