SCHEMBL4100461

SCHEMBL4100461

Nc1ccc(OC(=O)C(=O)Oc2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
MAPT P10636 5/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
CASP6 P55212 1/20 0.50
GFER P55789 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
F2 P00734 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL27933475 0.88 PARP10 (0.50) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL598462 0.86 TDP1 (0.44) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL2132487 0.84 TDP1 (0.50) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL1263025 0.83 ELANE (0.59) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL1850368 0.82 KMT2A (0.54) TDP1MAPTCYP3A4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8395599 0.82 TDP1 (0.48) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL11126719 0.82 TDP1 (0.48) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL11229887 0.81 TDP1 (0.45) TDP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL222240 0.80 LMNA (0.64) TDP1MAPTCYP3A4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11673218 0.80 KMT2A (0.52) TDP1MAPTCYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9459494-B2 Liquid crystal aligning agent and liquid crystal display device employing it NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-04 US disclosed
US-20140023798-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY DEVICE EMPLOYING IT NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-01-23 US disclosed
US-8263732-B2 Photo-alignment film and liquid crystal display element JNC CORPORATION (JP) 2012-09-11 US disclosed
US-20090220707-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY DEVICE EMPLOYING IT NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2009-09-03 US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed
US-20060142538-A1 Liquid crystal orientating agent and liquid crystal display element using it NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-29 US disclosed