SCHEMBL11046483

SCHEMBL11046483

CC(O)N(c1nc(N2CC[S+]([O-])CC2)c2ncnc(OCc3ccccc3F)c2n1)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
SLC6A4 P31645 5/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 4/20 0.33
MPO P05164 1/20 0.32
MGMT P16455 1/20 0.31
CSNK1A1 P48729 1/20 0.31
HTR2A P28223 3/20 0.31
HTR6 P50406 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SCN3A Q9NY46 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL11046232 0.90 BCHE (0.33)
SCHEMBL11026793 0.87 ALDH1A1 (0.43) MGMT
SCHEMBL11023760 0.86 KIT (0.34) ACACBCSNK1A1
SCHEMBL11312367 0.84 ACACB (0.35) ACACBMPOMGMTCSNK1A1HTR6
SCHEMBL11047615 0.83 HRH4 (0.40) ACACB
SCHEMBL11031948 0.83 CSF1R (0.32)
SCHEMBL11025913 0.83 SLC29A1 (0.33)
SCHEMBL11021816 0.83 MEN1 (0.32)
SCHEMBL11046910 0.82 HRH4 (0.38)
SCHEMBL11022714 0.82 HTR2A (0.34) HTR2CHTR2A

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-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed