SCHEMBL13997263

SCHEMBL13997263

Bc1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
CYP2C9 P11712 2/20 0.54
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
GAA P10253 1/20 0.42
PLK1 P53350 1/20 0.39
MDM2 Q00987 4/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL5012548 0.80 CYP2C9 (0.54) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL15694845 0.79 HTT (0.59) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL13997137 0.78 HTT (0.55) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL5010847 0.78 HTT (0.51) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL5010875 0.76 MAPK1 (0.59) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL14280209 0.75 HTT (0.55) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL12345589 0.75 HTT (0.59) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL5605369 0.73 APP (0.64) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL445355 0.73 ALDH1A1 (0.48) HTTCYP2C9MAPK1ALDH1A1KDM4E
SCHEMBL20130358 0.73 TSHR (0.53) HTTCYP2C9MAPK1ALDH1A1KDM4E

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-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed