SCHEMBL8380240

SCHEMBL8380240

OCCOc1ccc(Cn2cccn2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTT P42858 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSNK2A1 P68400 2/20 0.42
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 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
SCHEMBL8380832 0.83 CYP2C19 (0.46) GAAMAPTCYP2C9HDAC1HDAC6
SCHEMBL7627658 0.82 MAPT (0.50) GAAMAPTHDAC1HDAC6HTT
SCHEMBL7630025 0.81 HDAC1 (0.45) GAAMAPTCYP2C9HDAC1HDAC6
SCHEMBL7629829 0.81 MAPT (0.54) GAAMAPTCYP2C9HDAC1HDAC6
SCHEMBL7634000 0.79 TSHR (0.44) GAAMAPTCYP2C9HDAC1HDAC6
SCHEMBL8383297 0.79 ADRB3 (0.48) GAAMAPTHDAC1HDAC6HTT
SCHEMBL8384881 0.79 GAA (0.46) GAAMAPTHDAC1HDAC6HTT
SCHEMBL18235820 0.77 GAA (0.59) GAAMAPTHDAC1HDAC6HTT
SCHEMBL25331542 0.77 GAA (0.52) GAAMAPTCYP2C9HDAC1HDAC6
SCHEMBL7625992 0.76 GAA (0.55) GAAMAPTHDAC1HDAC6HTT

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
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
US-5883262-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
EP-0757048-A1 ETHER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-02-05 EP disclosed