SCHEMBL9305094

SCHEMBL9305094

C(=Nc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KMT2A Q03164 6/20 0.54
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 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
SCHEMBL9305089 1.00 MAPT (0.54) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11339219 0.94 SIRT2 (0.53) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11339222 0.94 SIRT2 (0.53) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11325013 0.90 KMT2A (0.50) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11325016 0.90 KMT2A (0.50) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7827928 0.84 MEN1 (0.64) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7827926 0.84 MEN1 (0.64) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20871105 0.81 MAPT (0.62) MAPTKMT2APOLBL3MBTL1ALDH1A1
SCHEMBL27818030 0.81 MAPT (0.62) MAPTKMT2APOLBL3MBTL1ALDH1A1
SCHEMBL14337245 0.80 POLB (0.52) MAPTKMT2APOLBL3MBTL1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843866-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2019-06-04 CN disclosed
CN-106608847-A Preparation method for imine 中国科学院大连化学物理研究所 2017-05-03 CN disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed
US-5196606-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1993-03-23 US disclosed
US-5117062-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1992-05-26 US disclosed
US-5011998-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1991-04-30 US disclosed