SCHEMBL24727169

SCHEMBL24727169

C#C/C=C\C(=C/C)n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ AHR P35869 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL21972855 0.87 KIF11 (0.40) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL25643859 0.84 KDM4E (0.42) KMT2AKDM4EALDH1A1HPGDNPY5R
SCHEMBL19503262 0.82 POLB (0.42) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL19102262 0.79 NR4A2 (0.35) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL26215669 0.78 KDM4E (0.36) KDM4ETSPOPTGER4
SCHEMBL26047684 0.78 KIF11 (0.34) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL27341382 0.77 KIF11 (0.36) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL18058376 0.74 GPR3 (0.50) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL23119710 0.73 DAO (0.43) KMT2AMEN1POLB
SCHEMBL11689649 0.73 AHR (0.50) KIF11KMT2AKDM4EALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 — — EP disclosed
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