SCHEMBL13699530

SCHEMBL13699530

Nc1ccc(-c2cc3c(c4ccccc24)C=CC(c2ccccc2)(c2ccc(N4CCCC4)cc2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13240239 0.89 KIF11 (0.36) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL13488507 0.89 MAPT (0.35) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL13694878 0.84 S1PR1 (0.36) ALDH1A1MAPTKDM4EL3MBTL1HPGD
SCHEMBL3027348 0.83 HRH3 (0.36) ALDH1A1MAPTKDM4EL3MBTL1HPGD
SCHEMBL3037414 0.83 TP53 (0.37) TP53THRBRAB9AMAPK1
SCHEMBL3028310 0.82 CNR1 (0.34) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL3031793 0.82 HRH3 (0.38) ALDH1A1MAPTKDM4EL3MBTL1HPGD
SCHEMBL13694880 0.82 HTR7 (0.32) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL3036691 0.81 THRA (0.37) TP53GAATHRBKMT2ALMNA
SCHEMBL3207524 0.80 ACHE (0.41) ALDH1A1MAPTKDM4EL3MBTL1MEN1

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
EP-2098520-A1 Photochromic dichroic naphtho-pyrans and optical articles containing them Essilor International (Compagnie Générale D'Optique) (FR) 2009-09-09 EP disclosed