SCHEMBL6270046

SCHEMBL6270046

CC(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.74
MAPT P10636 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HSP90AA1 P07900 1/20 0.74
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
TAAR1 Q96RJ0 2/20 0.65
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 5/20 0.61
TSHR P16473 2/20 0.61
EPHX2 P34913 2/20 0.61
TP53 P04637 1/20 0.61
EPHX1 P07099 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
GPR174 Q9BXC1 1/20 0.60
HTT P42858 2/20 0.60
HSD17B10 Q99714 1/20 0.60
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL9479262 0.85 MAPT (1.00) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL5866036 0.85 MAPT (1.00) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL25380688 0.85 KMT2A (0.66) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL29771009 0.85 KMT2A (0.66) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL7372314 0.84 RAB9A (0.63) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL11811369 0.83 ALDH1A1 (0.66) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL10271633 0.83 RAB9A (0.71) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL2063502 0.83 KMT2A (0.73) GAAMAPTALDH1A1HSP90AA1NPC1
SCHEMBL11106394 0.81 RAB9A (0.85) GAAMAPTALDH1A1NPC1RAB9A
Diacetamate SCHEMBL863106 0.81 KMT2A (0.81) GAAMAPTALDH1A1HSP90AA1KMT2A

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
WO-2020039601-A1 OIL-IN-WATER TYPE EMULSION OF ACTINIC-RAY-CURABLE RESIN COMPOSITION, AND THERMAL RECORDING MATERIAL 日本化薬株式会社 2020-02-27 WO disclosed
WO-2005092907-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-CANCER AND ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO disclosed