SCHEMBL28637381

SCHEMBL28637381

O/N=C(\NCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALOX12 P18054 2/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIN2B Q13224 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
ADAMTS4 O75173 1/20 0.44

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
SCHEMBL28637383 1.00 LMNA (0.52) LMNAALOX12RECQLMAPTNPSR1
SCHEMBL28640295 0.93 ALDH1A1 (0.51) LMNAALOX12RECQLMAPTNPSR1
SCHEMBL28640297 0.93 ALDH1A1 (0.51) LMNAALOX12RECQLMAPTNPSR1
SCHEMBL28635369 0.88 ALOX12 (0.50) LMNAALOX12MAPTKMT2AALDH1A1
SCHEMBL28635370 0.88 ALOX12 (0.50) LMNAALOX12MAPTKMT2AALDH1A1
SCHEMBL28646790 0.83 PLA2G1B (0.56) LMNAALOX12RECQLNPSR1KMT2A
SCHEMBL28646793 0.83 PLA2G1B (0.56) LMNAALOX12RECQLNPSR1KMT2A
SCHEMBL28651360 0.80 LMNA (0.66) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL28651359 0.80 LMNA (0.66) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL28635373 0.77 PLA2G1B (0.56) LMNAALOX12RECQLMAPTNPSR1

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
CN-113502491-A Electrochemical preparation method of Tioxazafen and atrareum intermediate 湖南大学 2021-10-15 CN disclosed