SCHEMBL7091457

SCHEMBL7091457

COc1ccc2ccc3c(c2c1)N=CC1(O3)N(C)c2cccc(C(F)(F)F)c2C1(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
THRB P10828 5/20 0.70
KDM4E B2RXH2 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
LMNA P02545 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
HTT P42858 2/20 0.70
ALOX12 P18054 2/20 0.70
GAA P10253 2/20 0.70
RECQL P46063 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
POLB P06746 1/20 0.70
MAPK1 P28482 1/20 0.70
PKM P14618 2/20 0.52
NPSR1 Q6W5P4 9/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10673788 0.90 KDM4E (0.57) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL13809185 0.85 MAPT (0.75) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4620516 0.83 MAPT (1.00) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10670765 0.83 MAPT (0.75) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL11071776 0.82 MAPT (0.68) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10670906 0.82 MAPT (0.73) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10552942 0.80 MAPT (0.74) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL6420753 0.78 MAPT (0.77) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4621970 0.77 MAPT (0.79) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL7088818 0.77 KDM4E (0.46) MAPTTHRBKDM4ESMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134633-B1 PHOTOCHROMIC COMPOSITION AMERICAN OPTICAL CORPORATION (US) 1988-06-08 EP claimed
EP-1404768-B1 POLYURETHANE BASED BALLPOINT INKS BIC CORP (US) 2020-04-22 EP disclosed
US-20030055127-A1 Polyurethane based inks for writing instruments BIC CORPORATION 2003-03-20 US disclosed
US-5208132-A Microencapsulation of hindered amines MATSUI SHIKISO CHEMICAL CO., LTD. (JP) 1993-05-04 US disclosed