SCHEMBL6541156

SCHEMBL6541156

CCCCCC[N]c1cccc2c1ccc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 4/20 0.43
HTT P42858 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 1/20 0.43
HPRT1 P00492 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6541300 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6542081 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6541040 0.98 HPRT1 (0.44) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL286309 0.94 HPRT1 (0.45) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6540677 0.91 MAPT (0.41) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6541705 0.91 MAPT (0.41) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6542194 0.91 MAPT (0.41) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6541657 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL6541999 0.87 HPRT1 (0.48) ALDH1A1CYP1A2HPGDCYP2D6CYP2C19
SCHEMBL731901 0.84 CYP1A2 (0.43) ALDH1A1CYP1A2HPGDCYP2D6CYP2C19

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
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed