SCHEMBL9185398

SCHEMBL9185398

O=S(=O)(NN1CCNCC1S(=O)(=O)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
HTR6 P50406 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 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
SCHEMBL1714647 0.72 HTR2C (0.41) PKMHTR6HTR2AHTR2CKCNH2
SCHEMBL30407459 0.71 CHRM2 (0.43) HTR6POLBHTR2AHTR2CKCNH2
SCHEMBL28061774 0.71 HTR6 (0.42) HTR6HTR2AHTR2CKCNH2CHRM2
SCHEMBL11968841 0.70 KDM4E (0.42) HTR2AHTR2CKCNH2ALDH1A1CHRM2
SCHEMBL7362762 0.70 HTR6 (0.55) HTR6ALDH1A1CHRM2CHRM1
SCHEMBL3796418 0.70 SLC6A2 (0.49) HTR6HTR2AHTR2CHTR1AHTR7
Fluoride SCHEMBL28061775 0.70 HTR6 (0.41) HTR6HTR2AHTR2CKCNH2CHRM2
SCHEMBL6744243 0.69 CA1 (0.44) HTR6MEN1KMT2AALDH1A1CHRM2
SCHEMBL7462033 0.68 HTR6 (0.39) HTR6HTR2AHTR2CKCNH2CHRM2
SCHEMBL9185391 0.68 PKM (0.74) PKMPOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436734-B1 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
US-5250528-A Cognition activators FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-05 US disclosed
EP-0436734-A1 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed