SCHEMBL9988155

SCHEMBL9988155

O=S(=O)(c1ccccc1)C1CCCCC1CCl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTR2A P28223 3/20 0.42
ALDH1A1 P00352 6/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KCNH2 Q12809 2/20 0.37
HTR2C P28335 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GBA1 P04062 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL9988284 0.97 ALDH1A1 (0.42) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL11737793 0.75 MAPT (0.50) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL22548427 0.74 MAPT (0.49) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL27721305 0.74 MAPT (0.49) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL780293 0.74 MAPT (0.49) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL27875064 0.71 ALDH1A1 (0.40) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL22548166 0.70 ALDH1A1 (0.45) MAPTHTR2AALDH1A1MMP2MMP9
SCHEMBL777971 0.70 MAPT (0.56) MAPTHTR2AALDH1A1KMT2AKDM4E
SCHEMBL776895 0.69 MAPT (0.55) MAPTHTR2AALDH1A1KMT2AKDM4E
SCHEMBL16790918 0.67 PSIP1 (0.45) MAPTHTR2AALDH1A1KCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582374-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS Afraxis, Inc. (US) 2013-04-24 EP disclosed
EP-2580216-A2 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2013-04-17 EP disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 WO disclosed
WO-2011156780-A2 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed