SCHEMBL29354585

SCHEMBL29354585

OB(O)c1ncccc1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
NISCH Q9Y2I1 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
DHODH Q02127 2/20 0.35
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL290645 0.82 KDM4E (0.38) KDM4ENPC1MPIL3MBTL1
SCHEMBL29953457 0.82 KDM4E (0.38) KDM4ENPC1MPIL3MBTL1
SCHEMBL29957959 0.77 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL9958248 0.77 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL28483770 0.76 KDM4E (0.45) KDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL26963784 0.74 CDC7 (0.35) KDM4ENPC1CDK2DHODH
SCHEMBL29941260 0.74 CDC7 (0.35) KDM4ENPC1CDK2DHODH
SCHEMBL28231982 0.72 KDM4E (0.50) KDM4ENPC1F2F10F7
SCHEMBL28483689 0.71 KDM4E (0.49) KDM4ENPC1F2F10F7
SCHEMBL2558265 0.70 NPC1 (0.40) KDM4ENPC1DHODHL3MBTL1IDO1

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
CN-113968859-B Multi-element condensed ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2024-09-24 CN disclosed
CN-113968859-A Multi-element fused ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2022-01-25 CN disclosed