SCHEMBL10012896

SCHEMBL10012896

COc1ccc(-c2nnc(S)n2/N=C/c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
OXTR P30559 1/20 0.44

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
SCHEMBL10012898 1.00 POLB (0.58) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012883 0.87 MEN1 (0.54) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012881 0.87 MEN1 (0.54) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012633 0.86 POLB (0.49) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012630 0.86 POLB (0.49) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012422 0.86 MEN1 (0.56) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012421 0.86 MEN1 (0.56) POLBKMT2AMEN1MAPTLMNA
SCHEMBL15780714 0.86 KDM4E (0.55) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012613 0.83 MEN1 (0.54) POLBKMT2AMEN1MAPTLMNA
SCHEMBL10012995 0.83 MEN1 (0.49) POLBKMT2AMEN1MAPTLMNA

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