SCHEMBL10501378

SCHEMBL10501378

CC(=O)Oc1cc2c(c3ccccc13)Nc1ccc(C)cc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ GAA P10253 7/20 0.47
▸ NOX1 Q9Y5S8 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HTT P42858 3/20 0.45
▸ ALOX15 P16050 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL10500416 0.88 NOX1 (0.47) MAPTMEN1KMT2AGAANOX1
SCHEMBL10501014 0.87 NOX1 (0.47) MAPTMEN1KMT2AGAANOX1
SCHEMBL10500347 0.86 NOX1 (0.52) MAPTMEN1KMT2AGAANOX1
SCHEMBL10558883 0.76 NOX1 (0.41) MAPTMEN1KMT2AGAANOX1
SCHEMBL10558875 0.75 ELANE (0.43) MAPTMEN1KMT2AGAANOX1
SCHEMBL10500786 0.73 MAPT (0.44) MAPTMEN1KMT2AGAANOX1
Hydrochloric Acid SCHEMBL10501359 0.71 NOX1 (0.38) MAPTMEN1KMT2AGAANOX1
SCHEMBL1312704 0.70 SNCA (0.38) MAPTMEN1KMT2AGAANOX1
SCHEMBL10501198 0.70 NOX1 (0.51) MAPTMEN1KMT2AGAANOX1
SCHEMBL31087634 0.69 NOX1 (0.48) MAPTMEN1KMT2AGAANOX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876246-A Benzo[a]phenothiazines and hydro-derivatives for inhibiting leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1989-10-24 — — US disclosed
EP-0136893-B1 Benzo[a]phenothiazines and hydro-derivatives and pharmaceutical compositions containing them MERCK FROSST CANADA INC. (CA) 1989-08-16 — — EP disclosed
US-4611056-A Benzo[A]phenothiazines and hydro-derivatives MERCK FROSST CANADA, INC. (CA) 1986-09-09 — — US disclosed
EP-0136893-A2 Benzo[a]phenothiazines and hydro-derivatives and pharmaceutical compositions containing them MERCK FROSST CANADA INC. (CA) 1985-04-10 — — EP disclosed
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