SCHEMBL20650503

SCHEMBL20650503

FC(F)(F)c1ccccc1N(I)c1cccc2c1oc1c(C(F)(F)F)cccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
EPHX2 P34913 2/20 0.33
C1R P00736 1/20 0.31
ESR1 P03372 1/20 0.31
CDC14B O60729 1/20 0.31
CDC14A Q9UNH5 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP2C19 P33261 1/20 0.30
ACP1 P24666 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20650472 0.92 KIF11 (0.31) KIF11ESR1MEN1KMT2ACYP2C19
SCHEMBL20650124 0.92 KIF11 (0.31) KIF11EPHX2MEN1KMT2ACYP2C19
SCHEMBL20650723 0.90 KIF11 (0.32) KIF11
SCHEMBL20650496 0.90 KIF11 (0.32) KIF11EPHX2
SCHEMBL20650125 0.89 ELANE (0.33) KIF11EPHX2MEN1KMT2ACYP2C19
SCHEMBL20650423 0.89 ELANE (0.33) KIF11ESR1ACP1
SCHEMBL20650497 0.85 HSD11B1 (0.34) EPHX2C1RKDM4E
SCHEMBL20650126 0.85 ESR1 (0.34) ESR1MEN1KMT2AKDM4E
SCHEMBL20650500 0.85 AR (0.35) KDM4E
SCHEMBL20650505 0.83 EPHX2 (0.40) EPHX2CYP2C19

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-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed