SCHEMBL26988134

SCHEMBL26988134

O=Cc1ccccc1Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
TBXA2R P21731 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGDR Q13258 3/20 0.41
PTGER4 P35408 2/20 0.39
PTGFR P43088 2/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL872046 0.84 LMNA (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL31588310 0.84 LMNA (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL21990472 0.83 TBXA2R (0.37) MEN1KMT2AALDH1A1TBXA2RPTGER3
SCHEMBL6853616 0.82 MEN1 (0.46) MEN1LMNATHRBBLMKMT2A
SCHEMBL7453987 0.81 LMNA (0.60) MEN1LMNATHRBBLMKMT2A
SCHEMBL12869653 0.81 ALDH1A1 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL10727696 0.81 ALDH1A1 (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL11464004 0.81 MEN1 (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL38665606 0.81 ERN1 (0.50) ALDH1A1MAOAMAOBERN1
SCHEMBL9018908 0.81 ALDH1A1 (0.46) MEN1LMNATHRBBLMKMT2A

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
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
CN-108084448-B Cadmium polymerization complex containing 4, 5-dimethyl-1, 2-phenylenediamine derivative and preparation method and application thereof 湘潭大学 2020-10-30 CN disclosed
CN-108084448-A One kind -1,2- of dimethyl containing 4,5- phenylenediamine derivatives close cadmium oligometric comples and preparation method and purposes 湘潭大学 2018-05-29 CN disclosed