SCHEMBL6771377

SCHEMBL6771377

[c]1cncc(OCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOB P27338 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40

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
SCHEMBL4265760 0.77 CYP11B2 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL447619 0.75 LMNA (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2492332 0.73 KMT2A (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17926141 0.72 MAOB (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9481844 0.72 ALOX5 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9481827 0.71 ALOX5 (0.42) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL198499 0.69 CYP1A2 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30454012 0.69 CYP1A2 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL24265435 0.69 L3MBTL1 (0.46) LMNAMAPTSMN1; SMN2L3MBTL1GABRG2
SCHEMBL2037015 0.69 NUDT1 (0.47) MAOBGAAMAPTMAOARAB9A

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-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed