SCHEMBL19308227

SCHEMBL19308227

O=S(=O)(c1ccc2ccccc2c1)C1CCC(C2CCNCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.54
▸ SLC6A2 P23975 6/20 0.49
▸ SLC6A4 P31645 6/20 0.49
▸ TSHR P16473 3/20 0.48
▸ KCNH2 Q12809 4/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ HTR6 P50406 3/20 0.46
▸ MCOLN3 Q8TDD5 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTR3A P46098 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ MLNR O43193 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3212630 0.91 PKM (0.55) PKMSLC6A2SLC6A4TSHRKCNH2
SCHEMBL5275182 0.86 TSHR (0.59) PKMSLC6A2SLC6A4TSHRMCOLN3
SCHEMBL10795379 0.77 SLC6A2 (0.52) PKMSLC6A2SLC6A4TSHRKCNH2
Hydrochloric Acid SCHEMBL10795422 0.76 SLC6A2 (0.51) PKMSLC6A2SLC6A4TSHRKCNH2
SCHEMBL19308229 0.76 F2 (0.52) PKMTSHRMCOLN3LMNAALDH1A1
SCHEMBL12929587 0.75 PKM (0.54) PKMSLC6A2SLC6A4TSHRKCNH2
SCHEMBL19308198 0.73 TSHR (0.47) TSHRKCNH2MCOLN3LMNAALDH1A1
SCHEMBL933358 0.72 KMT2A (0.61) PKMSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL932265 0.72 NPY5R (0.66) SLC6A2SLC6A4KCNH2SLC6A3HTR6
Hydrochloric Acid SCHEMBL6793584 0.71 KMT2A (0.60) PKMSLC6A2SLC6A4KCNH2SLC6A3

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