SCHEMBL24442811

SCHEMBL24442811

Clc1c(Br)cc(-c2ccccc2)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL30503055 1.00 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL23568147 0.85 CRHBP (0.60) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL25489732 0.79 CRHBP (0.54) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL31333141 0.79 CRHBP (0.54) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL26428597 0.79 AHR (0.46) CRHBPCRHR2AKR1C2AKR1C1ALDH1A1
SCHEMBL30503051 0.77 ALDH1A1 (0.34) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL24442989 0.77 ALDH1A1 (0.34) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL28879617 0.76 CRHBP (0.60) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL28319260 0.76 CRHBP (0.48) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL22819599 0.76 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4

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
CN-116326241-A Compound and organic light emitting device comprising the same 株式会社LG化学 2023-06-23 CN disclosed
WO-2022103090-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-05-19 WO disclosed
WO-2022103090-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-05-19 WO disclosed