SCHEMBL14918286

SCHEMBL14918286

[CH2]c1ccc(N2CCCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CNR2 P34972 11/20 0.53
UBE2T Q9NPD8 1/20 0.50
CNR1 P21554 1/20 0.46
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL14918767 0.98 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL25257007 0.81 PLD1 (0.53) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL353041 0.81 ALDH1A1 (0.55) MAPTALDH1A1LMNACNR2CYP1A2
SCHEMBL82447 0.76 CNR2 (0.62) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3573336 0.76 GRIN2D (0.54) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2744803 0.76 UBE2T (0.54) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1432610 0.76 MAPT (0.53) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1108644 0.76 CNR2 (0.62) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL31196073 0.76 GRIN2D (0.54) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29656785 0.76 CNR2 (0.76) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed