SCHEMBL11983162

SCHEMBL11983162

COC(Nc1ccccc1)(OC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.38
CES1 P23141 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CTSD P07339 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX12 P18054 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL17758245 0.77 KCNN4 (0.52) KCNN4MAPK1CES1TSHRALDH1A1
SCHEMBL28370279 0.76 KDM4E (0.44) KCNN4MAPK1CES1KDM4EGAA
SCHEMBL28465259 0.75 KDM4E (0.42) KCNN4MAPK1CES1KDM4EGAA
Hydrochloric Acid SCHEMBL9243390 0.74 GAA (0.41) MAPTTSHRALDH1A1TDP1ALOX12
SCHEMBL6287224 0.71 KCNN4 (0.47) KCNN4MAPTCES1TSHRALDH1A1
Hydrochloric Acid SCHEMBL27718739 0.71 KCNN4 (0.55) KCNN4MAPK1CES1ALDH1A1ALOX15
SCHEMBL29138685 0.71 KCNN4 (0.52) KCNN4MAPTCES1TSHRALDH1A1
SCHEMBL3225192 0.70 TSHR (0.48) KCNN4MAPTMAPK1TSHRALDH1A1
SCHEMBL450601 0.70 MAPKAPK2 (0.46) KCNN4MAPK1TSHRALDH1A1ALOX15
SCHEMBL11328818 0.69 KCNN4 (0.44) KCNN4MAPK1CES1ALDH1A1TDP1

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
EP-2627638-A1 1,2-DIHYDRO-4-HYDROXY-2-OXO-QUINOLINE-3-CARBOXANILIDES AS AHR ACTIVATORS. Immunahr AB (SE) 2013-08-21 EP disclosed
WO-2012050500-A1 1,2-DIHYDRO-4-HYDROXY-2-OXO-QUINOLINE-3-CARBOXANILIDES AS AHR ACTIVATORS. PETTERSSON LARS (SE) 2012-04-19 WO disclosed