SCHEMBL10012346

SCHEMBL10012346

COc1cc(-c2nnc(S)n2C2CCCCC2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CREBBP Q92793 1/20 0.50
KDM4E B2RXH2 3/20 0.42
FLT3 P36888 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10011799 0.86 ALDH1A1 (0.51) ALDH1A1HPGDTSHRMAPTHTT
SCHEMBL10012986 0.76 HPGD (0.50) ALDH1A1HPGDTSHRMAPTMEN1
SCHEMBL5435550 0.75 HPGD (0.42) ALDH1A1HPGDTSHRHTTNPSR1
SCHEMBL5332912 0.73 GAA (0.40) ALDH1A1HPGDTSHRHTTNPSR1
SCHEMBL2895238 0.73 ALDH1A1 (0.53) ALDH1A1HPGDTSHRMAPTHTT
SCHEMBL5417960 0.71 GAA (0.39) ALDH1A1HPGDTSHRHTTNPSR1
SCHEMBL10012170 0.70 DHFR (0.48) ALDH1A1HPGDTSHRMAPTCREBBP
SCHEMBL31030943 0.68 CYP11B2 (0.49) ALDH1A1HPGDTSHRKDM4ELMNA
SCHEMBL28601406 0.68 TUBB4A (0.46) ALDH1A1HPGDTSHRMAPTHTT
SCHEMBL5333965 0.68 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753895-B2 Surface modified metal nano-particle and use thereof Postech Academy-Industries Foundation (KR) 2014-06-17 US disclosed
US-20130252274-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-09-26 US disclosed
US-20120168681-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-07-05 US disclosed