SCHEMBL19308228

SCHEMBL19308228

N=C(N)N1CCN(C(=O)C2CC(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.47
▸ MC5R P33032 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ F2 P00734 8/20 0.45
▸ PLG P00747 2/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ PKM P14618 4/20 0.41
▸ AKR1C3 P42330 1/20 0.41

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
SCHEMBL19308226 0.84 PKM (0.52) USP2LMNATSHRMAPK1HSD17B10
SCHEMBL12929578 0.84 MC4R (0.47) MC4RMC5RUSP2LMNATSHR
SCHEMBL19308229 0.79 F2 (0.52) MC4RMC5RLMNATSHRKMT2A
SCHEMBL19308224 0.73 F2 (0.49) LMNAKMT2AF2PLGF10
SCHEMBL12929584 0.70 F2 (0.52) MC4RMC5RLMNAKMT2AF2
SCHEMBL8546806 0.70 AKR1C3 (0.51) LMNATSHRKMT2APKMAKR1C3
Hydrochloric Acid SCHEMBL5737608 0.69 F10 (0.67) USP2LMNATSHRMAPK1HSD17B10
SCHEMBL6787217 0.69 F10 (0.68) USP2LMNATSHRMAPK1HSD17B10
SCHEMBL4270641 0.68 CNR1 (0.69) USP2LMNATSHRMAPK1HSD17B10
SCHEMBL19308204 0.68 ALDH1A1 (0.51) LMNAKMT2AF2CA12CA1

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
Send feedback