SCHEMBL7815089

SCHEMBL7815089

Cn1[c]nc2cc(C(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.33
PKM P14618 2/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7811025 0.86 SCN10A (0.35) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL3651143 0.84 PKM (0.50) HTR1DALDH1A1HSD17B10PKMCYP1A2
SCHEMBL5982296 0.76 FGFR1 (0.39) ALDH1A1HSD17B10TDP1CYP1A2MEN1
SCHEMBL7818433 0.74 FGFR1 (0.38) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL7810834 0.70 KIF11 (0.42) ALDH1A1PKMCYP1A2CYP2C19
SCHEMBL21038105 0.69 ALDH1A1 (0.39) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL762008 0.69 GRM5 (0.49) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL10254346 0.69 HCAR3 (0.51) ALDH1A1HPGDHSD17B10PKMMEN1
SCHEMBL5982464 0.69 HCAR3 (0.55) HPGDHSD17B10TDP1GAAL3MBTL1
SCHEMBL75687 0.69 SLC9A1 (0.43) ALDH1A1HPGDTDP1PKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed