SCHEMBL10800975

SCHEMBL10800975

Cc1ccc2oc3cc([N+](=O)[O-])ccc3c(=S)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ ACHE P22303 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10810205 0.82 MEN1 (0.82) MAPTMEN1KMT2APSMB8NPC1
SCHEMBL9468453 0.80 MAPT (0.67) MAPTMEN1KMT2APSMB8NPC1
SCHEMBL9187037 0.80 KDM1A (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL7703302 0.77 MEN1 (0.82) MAPTMEN1KMT2APSMB8HSD17B10
SCHEMBL11158833 0.75 MAOB (0.54) MAPTMEN1KMT2AMAOBHSD17B10
SCHEMBL1258329 0.74 MAOB (0.50) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL483262 0.72 MEN1 (1.00) MAPTMEN1KMT2ATSHRNPC1
Dibenzofuran SCHEMBL28066911 0.72 MEN1 (1.00) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL11156762 0.72 MAOB (0.50) MAPTMEN1KMT2AMAOBPSMB8
SCHEMBL3072969 0.71 MEN1 (0.67) MAPTMEN1KMT2AMAOBPSMB8

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
EP-0110831-B1 THIOXANTHONES SUBSTITUTED BY ALPHA-AMINOALKYL GROUPS CIBA-GEIGY AG (CH) 1987-03-04 — — EP disclosed
EP-0110831-A1 Thioxanthones substituted by alpha-aminoalkyl groups CIBA-GEIGY AG (CH) 1984-06-13 — — EP disclosed
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