SCHEMBL6545369

SCHEMBL6545369

CC1CC(=O)C2=C(C1)Nc1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
GAA P10253 6/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PABPC1 P11940 1/20 0.58
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.49
BRD4 O60885 5/20 0.47
CREBBP Q92793 4/20 0.47
NOX1 Q9Y5S8 2/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 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
SCHEMBL28060192 0.75 MEN1 (1.00) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6545194 0.74 MAPT (1.00) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6545099 0.71 KDM4E (0.50) MAPTMEN1KMT2AGAANPSR1
SCHEMBL29044241 0.70 GAA (0.47) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7750822 0.69 KDM4E (0.50) MAPTMEN1KMT2AGAANPSR1
SCHEMBL12463182 0.68 L3MBTL1 (0.66) MAPTMEN1KMT2AGAANPSR1
SCHEMBL12462878 0.68 L3MBTL1 (0.66) MAPTMEN1KMT2AGAANPSR1
SCHEMBL2279059 0.68 GAA (0.51) MAPTMEN1KMT2AGAANPSR1
SCHEMBL16268747 0.68 GAA (0.63) MAPTMEN1KMT2AGAANPSR1
SCHEMBL9629698 0.66 CREBBP (0.64) MEN1KMT2AGAAALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027055-B1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2004-01-07 EP disclosed
EP-1027055-A4 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2001-12-05 EP disclosed
EP-1027055-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES HOWARD UNIVERSITY (US) 2000-08-16 EP disclosed
US-5994349-A ANTIEPILEPTIC AGENTS HOWARD UNIVERSITY (US) 1999-11-30 US disclosed
WO-1999021560-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4[10H]-ONE DERIVATIVES HOWARD UNIVERSITY (US) 1999-05-06 WO disclosed