SCHEMBL7064916

SCHEMBL7064916

CC#CCOC(c1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
CNR1 P21554 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7775708 0.81 CYP2D6 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7067328 0.79 CYP3A4 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7068541 0.74 CYP1A2 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7965218 0.71 CYP3A4 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1276467 0.69 MAOB (0.54) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL12873999 0.68 KMT2A (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7065279 0.67 CYP3A4 (0.54) KMT2ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL477457 0.67 MAPK1 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7064918 0.66 KMT2A (0.48) KMT2AMEN1MAPK1TP53ALDH1A1
SCHEMBL1358671 0.65 CYP1A2 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862545-B1 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-06-04 EP claimed
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US claimed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP claimed
WO-1997019040-A9 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF 1997-08-07 WO claimed
WO-1997019040-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1997-05-29 WO claimed
EP-0862545-B1 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-06-04 EP disclosed
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US disclosed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP disclosed
WO-1997019040-A9 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF 1997-08-07 WO disclosed
WO-1997019040-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1997-05-29 WO disclosed