SCHEMBL28880933

SCHEMBL28880933

O=Cc1cc(F)c(I)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.44
LMNA P02545 2/20 0.40
ERN1 O75460 7/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA3 P07451 1/20 0.33
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MCL1 Q07820 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
SCHEMBL31466810 0.83 ERN1 (0.41) PRKDCLMNAERN1MCL1
SCHEMBL709748 0.81 PRKDC (0.50) PRKDCLMNAERN1CA1CA2
SCHEMBL3070038 0.77 ERN1 (0.39) LMNAERN1MCL1
SCHEMBL6435751 0.77 ERN1 (0.39) PRKDCLMNAERN1
SCHEMBL30952047 0.77 ERN1 (0.35) PRKDCLMNAERN1
SCHEMBL10122745 0.76 KDM1A (0.31) CA1CA2CA9CA3
SCHEMBL3366443 0.76 PRKDC (0.45) PRKDCLMNAERN1CA1CA2
SCHEMBL18181704 0.76 ERN1 (0.38) ERN1MCL1
SCHEMBL2237276 0.75 PRKDC (0.58) PRKDCLMNAERN1POLBALDH1A1
SCHEMBL23832884 0.74 PRKDC (0.44) PRKDCLMNAERN1CA1CA2

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-115135643-B Compound and organic light emitting device including the same 株式会社LG化学 2024-04-30 CN disclosed
CN-115135643-A Novel compound and organic light emitting device including the same 株式会社LG化学 2022-09-30 CN disclosed