SCHEMBL28635369

SCHEMBL28635369

O/N=C(\NCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MITF O75030 1/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46

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
SCHEMBL28635370 1.00 ALOX12 (0.50) ALOX12ALDH1A1HPGDTP53GAA
SCHEMBL28637381 0.88 LMNA (0.52) ALOX12ALDH1A1HPGDKMT2AMAPT
SCHEMBL28637383 0.88 LMNA (0.52) ALOX12ALDH1A1HPGDKMT2AMAPT
SCHEMBL28646790 0.88 PLA2G1B (0.56) ALOX12ALDH1A1HPGDKMT2AMEN1
SCHEMBL28646793 0.88 PLA2G1B (0.56) ALOX12ALDH1A1HPGDKMT2AMEN1
SCHEMBL28632717 0.88 SMN1; SMN2 (0.56) ALDH1A1HPGDTP53KMT2AMEN1
SCHEMBL28640297 0.88 ALDH1A1 (0.51) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL28640295 0.88 ALDH1A1 (0.51) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL28635375 0.88 PLA2G1B (0.56) ALOX12ALDH1A1HPGDKMT2AMAPT
SCHEMBL28635373 0.88 PLA2G1B (0.56) ALOX12ALDH1A1HPGDKMT2AMAPT

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