SCHEMBL28755235

SCHEMBL28755235

O=C(/C=C(\Nc1ccccc1O)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.52
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMO Q99835 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ GRIK1 P39086 1/20 0.42

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
SCHEMBL28755327 0.89 GAA (0.51) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28755192 0.84 GAA (0.60) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28755338 0.84 GAA (0.55) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28755329 0.82 KMT2A (0.60) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28755342 0.77 GAA (0.53) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28755330 0.77 GAA (0.56) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28755189 0.77 GAA (0.56) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28604034 0.76 CYP2C19 (0.47) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28604030 0.76 CYP2C19 (0.47) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL28755226 0.75 GAA (0.51) GAANPC1RAB9ASMN1; SMN2ALDH1A1

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-107382899-B Polysubstituted 2-hydroxy-1, 4-benzoxazine derivative 华侨大学 2021-11-30 — — CN disclosed
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