SCHEMBL28414862

SCHEMBL28414862

O=[N+]([O-])C1(S)Nc2ccccc2S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 7/20 0.41
▸ GAA P10253 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RUNX1 Q01196 1/20 0.41
▸ CBFB Q13951 1/20 0.41
▸ SNCA P37840 2/20 0.40
▸ POLB P06746 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL10883559 0.76 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5811592 0.72 GAA (0.43) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28118925 0.71 GAA (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10901866 0.68 MEN1 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10431646 0.68 GAA (0.43) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11125704 0.68 GAA (0.43) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6534764 0.68 CYP2C19 (0.41) KMT2AMEN1NPC1RAB9AMAPT
Zinc Ion SCHEMBL809681 0.68 CYP2C19 (0.41) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3234153 0.68 MEN1 (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6658866 0.67 GAA (0.42) KMT2AMEN1NPC1RAB9AMAPT

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-103838084-B Photosensitive resin composition 住友化学株式会社 2020-06-16 — — CN disclosed
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