SCHEMBL4933663

SCHEMBL4933663

OC1(c2ccc(Br)cc2)c2ccccc2C(O)(c2ccc(Br)cc2)c2cc3ccccc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
PDK2 Q15119 1/20 0.40
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
MDM2 Q00987 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL10072781 0.88 ALDH1A1 (0.39) CYP2A6PDK2OPRM1OPRD1OPRK1
SCHEMBL13241717 0.87 PDK2 (0.45) CYP2A6PDK2OPRM1OPRD1OPRK1
SCHEMBL12877797 0.83 CYP2A6 (0.50) CYP2A6PDK2KDM1ARCOR1SLC6A2
SCHEMBL3248838 0.83 CYP2A6 (0.50) CYP2A6PDK2KDM1ARCOR1MEN1
SCHEMBL13276033 0.81 PDK2 (0.42) PDK2P2RX1P2RX3P2RX4P2RX7
SCHEMBL10457135 0.81 CYP2A6 (0.44) CYP2A6PDK2KDM1ARCOR1
SCHEMBL761315 0.81 CYP2A6 (0.52) CYP2A6PDK2KDM1ARCOR1MEN1
SCHEMBL20143393 0.81 PDK2 (0.41) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL11910878 0.81 PDK2 (0.41) PDK2MEN1KMT2ALMNAALDH1A1
SCHEMBL18422721 0.80 ALDH1A1 (0.48) PDK2OPRM1OPRD1OPRK1OPRL1

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-8790792-B2 Organic electroluminescent device SEIKO EPSON CORPORATION (JP) 2014-07-29 US disclosed
US-20080241592-A1 ORGANIC ELECTROLUMINESCENT DEVICE SEIKO EPSON CORPORATION (JP) 2008-10-02 US disclosed