SCHEMBL19308229

SCHEMBL19308229

N=C(N)N1CCC(C2CCC(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.52
▸ F10 P00742 2/20 0.52
▸ PLG P00747 2/20 0.52
▸ PLAU P00749 2/20 0.52
▸ ST14 Q9Y5Y6 2/20 0.52
▸ MCOLN3 Q8TDD5 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MC4R P32245 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 2/20 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
SCHEMBL12929584 0.81 F2 (0.52) F2F10PLGPLAUST14
SCHEMBL19308228 0.79 MC4R (0.47) F2F10PLGPLAUST14
SCHEMBL19308224 0.79 F2 (0.49) F2F10PLGPLAUST14
SCHEMBL5275182 0.79 TSHR (0.59) F2MCOLN3LMNAALDH1A1SMN1; SMN2
SCHEMBL8546806 0.77 AKR1C3 (0.51) MCOLN3LMNAALDH1A1KDM4EHTT
SCHEMBL19308227 0.76 PKM (0.54) MCOLN3LMNAALDH1A1AKR1C3AKR1C1
SCHEMBL19308204 0.75 ALDH1A1 (0.51) F2F10LMNAALDH1A1HTT
SCHEMBL19308200 0.72 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL6793156 0.71 GPR119 (0.50) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL19308197 0.70 HDAC3 (0.46) F2F10LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 — — US disclosed
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