SCHEMBL18700709

SCHEMBL18700709

Cn1c2cc3cc4ccccc4cc3cc2c2cc3cc4ccccc4cc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
GPR3 P46089 1/20 0.46
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO1 P15559 1/20 0.40
PABPC1 P11940 1/20 0.40
KIF11 P52732 1/20 0.39
ALOX15 P16050 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CYP3A4 P08684 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL10133772 0.95 KDM4E (0.50) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL20370861 0.92 GPR3 (0.61) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL5858881 0.87 GPR3 (0.67) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL17694811 0.85 GPR3 (0.64) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL19101584 0.83 KDM4E (0.44) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL22145859 0.82 MEN1 (0.53) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL19101619 0.82 KDM4E (0.47) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL23348106 0.79 RXRA (0.44) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL22661392 0.79 GPR3 (0.55) ALDH1A1KDM4ELMNAGPR3HSD17B10
SCHEMBL25523186 0.79 KIF11 (0.54) ALDH1A1KDM4ELMNAGPR3HSD17B10

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
US-20170288151-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-20170098786-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR ELEMENT AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND FUJIFILM CORPORATION (JP) 2017-04-06 US disclosed