SCHEMBL8955009

SCHEMBL8955009

Nc1cccc(C[C@](N)(C(=O)N2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ F2 P00734 6/20 0.44
▸ F10 P00742 5/20 0.44
▸ PRSS1 P07477 5/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ MCOLN3 Q8TDD5 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL9664400 0.88 ALDH1A1 (0.47) HTTALDH1A1F2F10PRSS1
SCHEMBL8954788 0.86 ALDH1A1 (0.37) HTTALDH1A1F10PLGMEN1
Bicarbonate SCHEMBL9665131 0.85 F10 (0.57) F2F10PRSS1PLGPLAU
SCHEMBL8955020 0.82 ALDH1A1 (0.38) HTTALDH1A1F2F10PRSS1
SCHEMBL8954656 0.79 AKR1C3 (0.39) ALDH1A1F2F10PRSS1PLAU
SCHEMBL8954816 0.79 F10 (0.39) HTTALDH1A1F2F10PLG
SCHEMBL8954946 0.78 F10 (0.45) F2F10PRSS1PLAUMCOLN3
SCHEMBL9710120 0.77 F10 (0.38) HTTALDH1A1F2F10PRSS1
SCHEMBL8954996 0.74 F10 (0.39) F10PLAU
SCHEMBL8954856 0.74 F10 (0.50) F2F10PRSS1PLGPLAU

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
Send feedback