SCHEMBL14965017

SCHEMBL14965017

CN1CCN(c2ccc(/C=C(\C#N)c3ccccc3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
MAPT P10636 6/20 0.74
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
LMNA P02545 3/20 0.74
PPARD Q03181 2/20 0.70
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL14965018 1.00 ALDH1A1 (0.74) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964917 0.87 ALDH1A1 (0.80) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964918 0.87 ALDH1A1 (0.80) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964780 0.86 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965063 0.86 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964781 0.86 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14965065 0.86 ALDH1A1 (0.78) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14968775 0.85 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14968774 0.85 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14964785 0.84 ALDH1A1 (0.70) 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 2 patents. 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
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