SCHEMBL6832446

SCHEMBL6832446

C=C(C)C(=O)Oc1cccc(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
FFAR1 O14842 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KAT6A Q92794 2/20 0.41
TGFBR1 P36897 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2A6 P11509 1/20 0.40
AXL P30530 1/20 0.39

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
SCHEMBL3989956 0.96 ELANE (0.47) ELANEFFAR1ABL1BCRNPC1
SCHEMBL4688782 0.86 MAPT (0.52) FFAR1ABL1BCRNPC1PKM
SCHEMBL2959744 0.85 ELANE (0.57) ELANEABL1BCRNPC1PKM
SCHEMBL4986100 0.83 ELANE (0.56) ELANEABL1BCRNPC1PKM
SCHEMBL6842392 0.83 ELANE (0.56) ELANEABL1BCRNPC1PKM
SCHEMBL6832354 0.83 EPHX1 (0.46) EPHX1
SCHEMBL379060 0.82 ELANE (0.51) ELANEMAPTLMNAMEN1KMT2A
SCHEMBL22873978 0.81 ELANE (0.49) ELANEFFAR1ABL1BCRNPC1
SCHEMBL30833342 0.81 ELANE (0.55) ELANEMAPTTDP1EPHX1
SCHEMBL16820804 0.81 ELANE (0.55) ELANEMAPTTDP1EPHX1

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-1407501-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE Showa Denko K.K. (JP) 2004-04-14 EP disclosed
WO-2003001616-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2003-01-03 WO disclosed