SCHEMBL11247013

SCHEMBL11247013

CCOC(=O)c1ccc(NCc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
CASP3 P42574 1/20 0.68
TRPV1 Q8NER1 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.59
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 3/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL4051167 0.88 MAPT (0.75) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11235432 0.88 MAPT (0.75) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11246529 0.87 CA1 (0.76) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11240039 0.87 MAPT (0.73) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL15761719 0.87 CA1 (0.75) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11242935 0.87 CA1 (0.75) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11238983 0.86 MAPT (0.71) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11247812 0.86 MAPT (0.71) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL5068509 0.85 CA1 (0.75) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL27996234 0.85 SMN1; SMN2 (0.73) MAPTALDH1A1L3MBTL1RAB9ANPC1

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
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed