SCHEMBL7979341

SCHEMBL7979341

CC(=O)Nc1cc2c3c([nH]c2cc1OCCNc1ccccc1C(C)O)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.44
LMNA P02545 9/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
PARP14 Q460N5 1/20 0.43
TP53 P04637 4/20 0.42
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7983735 0.87 MAPT (0.42) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL7980783 0.86 MAPT (0.42) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL7979338 0.85 PARP14 (0.43) MAPTLMNAKDM4EALDH1A1PARP14
SCHEMBL7069439 0.85 KDM4E (0.42) MAPTLMNAKDM4EPARP14KMT2A
SCHEMBL7979336 0.81 ADRB1 (0.42) MAPTLMNAKDM4EALDH1A1PARP14
SCHEMBL7980653 0.81 MAPT (0.40) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL7980852 0.81 MAPT (0.40) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL7977148 0.81 MAPT (0.40) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL7980659 0.72 HTR1D (0.36)
SCHEMBL7983732 0.70 TP53 (0.39) MAPTLMNAKDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed