SCHEMBL19802964

SCHEMBL19802964

COc1c(Br)cccc1-c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
PTGES O14684 4/20 0.37
AR P10275 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
ATM Q13315 1/20 0.35
ORAI1 Q96D31 2/20 0.34
RPS6KA2 Q15349 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL22195641 0.88 KDM4E (0.38) POLBPTGESARMEN1KMT2A
SCHEMBL29758529 0.85 POLB (0.36) POLBPTGESARMEN1KMT2A
SCHEMBL19802967 0.83 AR (0.38) POLBARMEN1KMT2AKDM4E
SCHEMBL24601997 0.83 AR (0.43) POLBARKDM4EMAPTNPSR1
SCHEMBL21784552 0.77 ORAI1 (0.42) POLBPTGESMEN1KMT2AKDM4E
SCHEMBL22177425 0.76 HSP90AA1 (0.41) POLBPTGESMEN1KMT2AORAI1
SCHEMBL19802270 0.76 PTGES (0.39) PTGESMEN1KMT2A
SCHEMBL3837354 0.75 KDM4E (0.39) POLBKMT2AKDM4EMAPTBCHE
SCHEMBL589662 0.75 KRAS (0.39) MEN1KMT2AKDM4EMAPT
SCHEMBL21926371 0.75 MAPT (0.36) MEN1KMT2AMAPTNPSR1RPS6KA2

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
EP-3480194-B1 HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES USING SAME LG CHEMICAL LTD (KR) 2021-09-08 EP disclosed
EP-3480194-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-05-08 EP disclosed
WO-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed