SCHEMBL9915657

SCHEMBL9915657

C(=C/c1ccc(N2CCCCC2)cc1)\c1ccc(/C=C/c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
MITF O75030 1/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
PTGS2 P35354 1/20 0.56
TRIM24 O15164 1/20 0.55
TRIM33 Q9UPN9 1/20 0.55
MEN1 O00255 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APP P05067 2/20 0.52
ACHE P22303 1/20 0.49
MAOB P27338 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9915631 0.92 MAPT (0.73) MAPTMITFALDH1A1SMN1; SMN2KDM4E
SCHEMBL7718270 0.90 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2KDM4EPTGS2
SCHEMBL7718267 0.90 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2KDM4EPTGS2
SCHEMBL6245150 0.88 LMNA (0.60) MAPTALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL9092806 0.88 LMNA (0.60) MAPTALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL13766546 0.88 TRIM24 (0.68) MAPTALDH1A1SMN1; SMN2KDM4EPTGS2
SCHEMBL2175616 0.85 LMNA (0.62) MAPTALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL29013980 0.85 MAPT (0.65) MAPTMITFALDH1A1SMN1; SMN2KDM4E
SCHEMBL2604938 0.85 MAPT (0.65) MAPTMITFALDH1A1SMN1; SMN2KDM4E
SCHEMBL1124042 0.82 CTSK (0.52) MAPTMITFALDH1A1SMN1; SMN2KDM4E

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
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed