SCHEMBL27960937

SCHEMBL27960937

CC(C)(C)c1ccc(C(=O)OOF)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.42
▸ CES2 O00748 2/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ACHE P22303 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 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
SCHEMBL9699948 0.83 TDP1 (0.42) TDP1CES2APEX1CFTRALDH1A1
SCHEMBL13945805 0.81 CFTR (0.49) TDP1CFTRALDH1A1HPGDHSD17B10
SCHEMBL28347866 0.80 TDP1 (0.36) TDP1CES2APEX1ALDH1A1HPGD
SCHEMBL18542708 0.80 GABRA1 (0.45) TDP1CES2APEX1ALDH1A1HPGD
SCHEMBL28808753 0.78 MAPT (0.41) TDP1CFTRALDH1A1ALOX15HSD17B10
SCHEMBL27960891 0.78 ALDH1A1 (0.46) TDP1ALDH1A1HPGDLMNAGAA
SCHEMBL31350139 0.77 TDP1 (0.50) TDP1CES2ALDH1A1HPGDALOX15
SCHEMBL4631399 0.77 TDP1 (0.59) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28347865 0.76 TDP1 (0.38) TDP1CES2APEX1ALDH1A1HPGD
SCHEMBL29233049 0.76 TDP1 (0.42) TDP1CES2APEX1ALDH1A1HPGD

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
CN-103923072-A Substituted Indazole Derivatives Active As Kinase Inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-07-16 — — CN disclosed
CN-101754956-B Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-04-23 — — CN disclosed
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