SCHEMBL9566102

SCHEMBL9566102

CCCCCCCCCc1cccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c12)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Cu]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KCNH2 Q12809 1/20 0.36
TLR8 Q9NR97 4/20 0.36
CNR2 P34972 1/20 0.35
CNR1 P21554 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7536961 0.99 NR1H2 (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL5157116 0.99 NR1H2 (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL6510089 0.99 NR1H2 (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL6512213 0.99 NR1H2 (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL6513226 0.99 NR1H2 (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL1449413 0.98 KDM4E (0.38) NR1H2NR1H3KDM4ECYP3A4HSD17B10
SCHEMBL7771620 0.95 KDM4E (0.41) KDM4ECYP3A4HSD17B10CYP1A2TSHR
SCHEMBL4957428 0.94 KDM4E (0.41) KDM4ECYP3A4HSD17B10CYP1A2TSHR
Hydrochloric Acid SCHEMBL4957543 0.93 KDM4E (0.41) KDM4ECYP3A4HSD17B10CYP1A2TSHR
Hydrochloric Acid SCHEMBL8716346 0.93 KDM4E (0.41) KDM4ECYP3A4HSD17B10CYP1A2TSHR

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-0563811-A1 Silanamine derivative and process for the production thereof, and organical EL device using the said silanamine derivative IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-10-06 EP disclosed