SCHEMBL14964918

SCHEMBL14964918

N#CC(=Cc1ccc(N2CCCC2)cc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.80
MAPT P10636 8/20 0.80
RAB9A P51151 7/20 0.80
NPC1 O15118 6/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
LMNA P02545 4/20 0.80
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 3/20 0.55
PPARD Q03181 2/20 0.53
HPGD P15428 3/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
STAT1 P42224 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL14964917 1.00 ALDH1A1 (0.80) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964780 0.99 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965063 0.99 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965065 0.99 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964781 0.99 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14968775 0.89 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14968774 0.89 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964895 0.87 ALDH1A1 (0.74) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965017 0.87 ALDH1A1 (0.74) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965018 0.87 ALDH1A1 (0.74) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed