SCHEMBL28102000

SCHEMBL28102000

Cc1nn(-c2ccccc2O)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KCNMA1 Q12791 1/20 0.42
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.38
ALOX15 P16050 2/20 0.38
PDE4B Q07343 1/20 0.38
KCNN4 O15554 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
NT5E P21589 1/20 0.37

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
Bicarbonate SCHEMBL17255690 0.93 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL17255701 0.82 HPGD (0.49) HSD17B10ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL17255699 0.82 HPGD (0.49) HSD17B10ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL27920187 0.80 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL16857585 0.78 LMNA (0.56) HSD17B10ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL16761056 0.76 CA9 (0.40) HSD17B10ALDH1A1CA12CA1CA2
SCHEMBL15442468 0.76 CA12 (0.40) ALDH1A1HPGDCA12CA1CA2
SCHEMBL17255737 0.76 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL17255708 0.76 LMNA (0.50) HSD17B10ALDH1A1CA12CA1CA2
SCHEMBL27993082 0.76 CASP1 (0.47) HSD17B10ALDH1A1CA12CA1CA2

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-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed
CN-104661661-A External liquid preparation for resisting trichophytosis MEIJI SEIKA PHARMA CO LTD 2015-05-27 CN disclosed