SCHEMBL8488124

SCHEMBL8488124

O=c1[nH]cc(-c2ccccc2)n1N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
ALOX12 P18054 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 1/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL4232792 0.68 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL12407928 0.68 NPC1 (0.58) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL9368534 0.65 HPGD (0.38) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL5935431 0.65 KMT2A (0.48) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL17446075 0.65 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL2718551 0.63 LMNA (0.51) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL17446140 0.63 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11125362 0.63 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL2982497 0.62 NSD3 (0.42) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL11248969 0.62 L3MBTL1 (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1

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-1999032481-A1 MUSCARINIC AGENTS AND USE THEREOF TO TREAT GLAUCOMA, MYOPIA AND VARIOUS OTHER CONDITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed