SCHEMBL6899991

SCHEMBL6899991

Nc1[c]ccc(-c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NQO2 P16083 2/20 0.38
HTR2A P28223 1/20 0.37
NISCH Q9Y2I1 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HIF1A Q16665 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP3A4 P08684 3/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL6900923 0.84 KDM4E (0.40) ALDH1A1HSD17B10L3MBTL1CYP3A4KDM4E
SCHEMBL1370743 0.75 ALOX5 (0.50) ALOX5MGAMGAASIMGAM2
SCHEMBL6897809 0.74 ESR1 (0.47) ALOX5ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL28790089 0.72 ALOX5 (0.41) ALOX5NQO2HTR2ANISCHCES1
SCHEMBL27950152 0.71 ALOX5 (0.59) ALOX5MGAMGAASIMGAM2
SCHEMBL12128618 0.71 ALOX5 (0.55) ALOX5MGAMGAASIMGAM2
SCHEMBL12128624 0.69 ALOX5 (0.53) ALOX5MGAMGAASIMGAM2
SCHEMBL29362847 0.69 ALOX5 (0.57) ALOX5NQO2HTR2ANISCHCES1
SCHEMBL300507 0.69 ALOX5 (0.57) ALOX5NQO2HTR2ANISCHCES1
SCHEMBL6684079 0.69 ALOX5 (0.62) ALOX5NQO2HTR2ANISCHCES1

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
JP-2004315495-A NEW ARYLAMINE DERIVATIVE HAVING FLUORENE SKELETON, SYNTHETIC INTERMEDIATE OF THE SAME, METHOD FOR PRODUCING THEM AND ORGANIC EL ELEMENT TOSOH CORP 2004-11-11 JP disclosed