SCHEMBL13899982

SCHEMBL13899982

c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
NISCH Q9Y2I1 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
SOS1 Q07889 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
APAF1 O14727 1/20 0.32
CASP3 P42574 1/20 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
SCHEMBL981539 0.94 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL30205806 0.94 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL13250569 0.89 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL4650694 0.88 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL7212604 0.87 NISCH (0.40) NISCHCES1ALDH1A1HSD17B10CYP1A2
SCHEMBL13250570 0.87 SIGMAR1 (0.46) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL27784725 0.85 SOS1 (0.38) SIGMAR1CES1ALDH1A1HSD17B10HPGD
SCHEMBL2332208 0.85 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL4921270 0.85 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL14461155 0.84 SIGMAR1 (0.40) SIGMAR1NISCHALDH1A1HSD17B10CYP1A2

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-7507485-B2 Electrolytic cell; indium tin anode, hole injection layer containing phthalocyanine dye, passivation cathode; red illumination efficiency LG DISPLAY CO., LTD. (KR) 2009-03-24 US disclosed
US-7507485-B2 Electrolytic cell; indium tin anode, hole injection layer containing phthalocyanine dye, passivation cathode; red illumination efficiency LG DISPLAY CO., LTD. (KR) 2009-03-24 US disclosed