SCHEMBL7689364

SCHEMBL7689364

O=C1CC(c2ccco2)Cc2occ(C(F)(F)F)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.47
POLB P06746 12/20 0.47
TDP1 Q9NUW8 8/20 0.47
KMT2A Q03164 8/20 0.47
NPSR1 Q6W5P4 7/20 0.47
L3MBTL1 Q9Y468 7/20 0.42
RECQL P46063 5/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 15/20 0.40
PKM P14618 10/20 0.39
TSHR P16473 8/20 0.39
MEN1 O00255 7/20 0.39
HSD17B10 Q99714 6/20 0.39
LMNA P02545 6/20 0.39
HTT P42858 5/20 0.39
ESR1 P03372 3/20 0.39
ALOX15 P16050 2/20 0.39
MCL1 Q07820 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL7686913 0.81 LMNA (0.48) MAPTKMT2ANPSR1ALDH1A1PKM
SCHEMBL7687762 0.80 POLB (0.50) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7687262 0.77 ALPL (0.43) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7690067 0.77 MAP1LC3B (0.38) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL7689655 0.77 MAP1LC3B (0.43) LMNAMAP1LC3B
Hydrochloric Acid SCHEMBL7682882 0.73 KMT2A (0.33) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7680946 0.69 HTR2C (0.40) MAPTLMNA
SCHEMBL1177395 0.65 POLB (1.00) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7689218 0.64 ALDH1A1 (0.55) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL1177894 0.62 POLB (0.62) MAPTPOLBTDP1KMT2ANPSR1

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-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed