SCHEMBL6799221

SCHEMBL6799221

Cc1ccccc1NC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
NPC1 O15118 7/20 0.73
MAPT P10636 4/20 0.73
POLB P06746 3/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 1/20 0.64
DDX3X O00571 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
ITGB1 P05556 2/20 0.60
ITGA4 P13612 1/20 0.60
LMNA P02545 1/20 0.57
STAT1 P42224 1/20 0.57
RECQL P46063 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
HPGD P15428 1/20 0.56
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55

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
SCHEMBL812756 0.88 DDX3X (0.80) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL3460448 0.86 RAB9A (0.71) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL5852186 0.85 DDX3X (0.70) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL34468112 0.83 DDX3X (0.77) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5681280 0.83 ITGB1 (0.54) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL6373673 0.83 ITGB1 (0.64) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL5865365 0.83 ITGB1 (0.54) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL1019968 0.82 EPHX2 (0.74) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL1275926 0.82 RAB9A (0.75) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL8497569 0.82 POLB (0.66) RAB9ANPC1MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed