SCHEMBL7358602

SCHEMBL7358602

[NH]C(=S)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HRH1 P35367 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FDPS P14324 1/20 0.42
PTPRA P18433 1/20 0.42

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
SCHEMBL6400020 0.81 RAB9A (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL30940202 0.79 HRH1 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL6237462 0.79 HRH1 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL1258953 0.79 RAB9A (0.54) CA1CA2RAB9ANPC1HRH1
SCHEMBL2780427 0.79 SMN1; SMN2 (0.48) CA12CA1CA2CA9RAB9A
Hydrochloric Acid SCHEMBL6990559 0.78 LMNA (0.51) CA12CA1CA2CA9RAB9A
SCHEMBL21909733 0.75 RAB9A (0.54) CA1CA2RAB9ANPC1HRH1
SCHEMBL5432067 0.75 RAB9A (0.54) CA1CA2RAB9ANPC1HRH1
SCHEMBL29612049 0.75 HRH3 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL11638957 0.75 HRH3 (0.50) CA12CA1CA2CA9RAB9A

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
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed