SCHEMBL28338514

SCHEMBL28338514

Nc1ccc2c(c1)c1cc(N)ccc1n2CCCS(=O)(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2D6 P10635 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33

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
SCHEMBL20486800 0.98 SIGMAR1 (0.45) SIGMAR1MAPTHSD17B10TDP1KDM4E
SCHEMBL30013278 0.82 SIGMAR1 (0.47) SIGMAR1MAPTHSD17B10TDP1KDM4E
SCHEMBL20486333 0.82 SIGMAR1 (0.47) SIGMAR1MAPTHSD17B10TDP1KDM4E
SCHEMBL28922224 0.77 MAPT (0.56) SIGMAR1MAPTTDP1HTTMEN1
SCHEMBL17224372 0.76 FABP4 (0.57) SIGMAR1KDM4EFABP4FABP5
SCHEMBL16355294 0.75 RORC (0.45) MAPTHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL30014239 0.74 MAPT (0.56) SIGMAR1MAPTTDP1HTTMEN1
SCHEMBL29411056 0.74 ALDH1A1 (0.57) SIGMAR1MAPTHSD17B10TDP1KDM4E
SCHEMBL19974241 0.74 ALDH1A1 (0.57) SIGMAR1MAPTHSD17B10TDP1KDM4E
SCHEMBL31097228 0.72 SLC6A4 (0.51) MAPTTDP1ALDH1A1HPGDFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573240-B Selectively permeable graphene oxide membranes 日东电工株式会社 2022-11-22 — — CN disclosed
CN-110573240-A selectively permeable graphene oxide membranes 日东电工株式会社 2019-12-13 — — CN disclosed
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