SCHEMBL8956282

SCHEMBL8956282

N#Cc1cccc(C[C@](N)(C(=O)N2CCCCC2C(=O)O)S(=O)(=O)c2cccc3cccnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ FAP Q12884 1/20 0.38

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
SCHEMBL8956093 0.86 F10 (0.44) MAPK1ALOX15TSHRGFERKMT2A
Iodide SCHEMBL8955189 0.86 F10 (0.43) MAPK1ALOX15TSHRGFERKMT2A
SCHEMBL8954993 0.83 CASR (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL8956272 0.75 GAA (0.48) MAPK1ALOX15TSHRGFERKMT2A
SCHEMBL8954662 0.75 DPP7 (0.41) MAPK1ALOX15TSHRGFERKMT2A
SCHEMBL8954607 0.71 CASR (0.36) DPP4FAPDPP8DPP9DPP7
Bicarbonate SCHEMBL9665066 0.71 F10 (0.45) ALOX15TSHRGFERKMT2AMEN1
SCHEMBL8954659 0.70 MAPT (0.46) MAPK1ALOX15TSHRKMT2APDE4D
SCHEMBL8954843 0.70 MMP8 (0.38) MAPTPOLB
SCHEMBL8954682 0.70 ALOX5AP (0.38) KMT2ASMN1; SMN2DPP4FAPDPP8

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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