SCHEMBL7590672

SCHEMBL7590672

Nc1cc(N)cc(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL27667787 0.84 ALDH1A1 (0.52) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL12101004 0.84 TDP1 (0.34) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL12398665 0.79 IDO1 (0.41) MAOBTSHR
SCHEMBL7430324 0.79 NOS3 (0.33) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL63871 0.78 TDP1 (0.53) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL12583989 0.77 MAOB (0.44) ALDH1A1MAOAMAOBGFERCYP19A1
SCHEMBL205947 0.77 ACHE (0.48) ALDH1A1KDM4EMAPTCA2CA12
SCHEMBL632456 0.75 MAOA (0.65) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL18469205 0.74 TAAR1 (0.43) TDP1ALDH1A1KDM4EMAPTBACE1
Hydrochloric Acid SCHEMBL205946 0.74 ACHE (0.46) ALDH1A1KDM4ECA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789590-B Diamine compound containing piperidine group, and preparation method and application thereof 波米科技有限公司 2024-02-02 CN disclosed
CN-116789590-A Diamine compound containing piperidine group, and preparation method and application thereof 波米科技有限公司 2023-09-22 CN disclosed
CN-106398722-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2018-11-02 CN disclosed
US-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
CN-106398722-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-02-15 CN disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US disclosed
US-20150234236-A1 POLYMER FOR ALIGNMENT FILMS, AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2015-08-20 US disclosed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed