SCHEMBL8699987

SCHEMBL8699987

COC(=O)c1cc(S(C)(=O)=O)c(N2CCCCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC9A1 P19634 1/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8630823 0.86 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8700566 0.85 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8705825 0.84 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8705791 0.84 KDM4E (0.45) SLC6A9KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8446533 0.79 SLC9A1 (0.64) SLC9A1
SCHEMBL8700610 0.79 SLC9A1 (0.49) KDM4ESLC9A1ALDH1A1TSHRHPGD
SCHEMBL8703757 0.76 PKM (0.40) KDM4ESMN1; SMN2SLC9A1ALDH1A1TSHR
SCHEMBL8581950 0.75 ALDH1A1 (0.40) KDM4ESMN1; SMN2SLC9A1ALDH1A1TSHR
SCHEMBL8585515 0.74 SCN9A (0.43) SLC9A1ALDH1A1TSHRHPGDHSD17B10
SCHEMBL8701815 0.74 HTT (0.43) SLC9A1ALDH1A1MAPTLMNA

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed