SCHEMBL18489010

SCHEMBL18489010

Brc1cccc2c1Oc1cccc(Br)c1O2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 0.44
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
ALDH1A1 P00352 1/20 0.32
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL380544 1.00
SCHEMBL6789123 0.97
SCHEMBL4592669 0.93 AHR (0.56) AHRALDH1A1
SCHEMBL24277781 0.85 KDM4E (0.47) AHRALOX15ALDH1A1MEN1KMT2A
SCHEMBL19899618 0.83 AHR (0.44) AHR
SCHEMBL23923382 0.83 AHR (0.34) AHR
SCHEMBL5588050 0.83 ALOX15 (0.41) AHRALOX15ALOX12ALDH1A1CSNK2A2
SCHEMBL5590709 0.80 PTGS2 (0.38) AHRALOX15ALOX12ALDH1A1
SCHEMBL29924741 0.79 AHR (0.59) AHR
SCHEMBL23420311 0.79 AHR (0.38) AHRMEN1KMT2A

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
WO-2017023126-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2017-02-09 WO disclosed