SCHEMBL29619656

SCHEMBL29619656

Nc1ccc2c(c1Br)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.33
TSHR P16473 1/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22827024 1.00 MAPT (0.38) MAPTLMNAHTTBLMKDM4E
SCHEMBL14720885 0.83 AOC3 (0.42) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL8405592 0.78 ADRA2A (0.46) MAPTLMNAHTTKDM4EGAA
SCHEMBL4923363 0.78 MAPT (0.39) MAPTLMNAHTTKDM4EGAA
Hydrochloric Acid SCHEMBL18686536 0.77 MAPT (0.42) MAPTLMNAHTTKDM4EGAA
SCHEMBL10188136 0.75 MAPT (0.37) MAPTLMNAHTTKDM4EGAA
SCHEMBL25166705 0.75 HTT (0.38) MAPTLMNAHTTBLMKDM4E
SCHEMBL25166294 0.75 LMNA (0.38) MAPTLMNAHTTBLMKDM4E
SCHEMBL30329793 0.75 LMNA (0.38) MAPTLMNAHTTBLMKDM4E
SCHEMBL25166334 0.75 LMNA (0.38) MAPTLMNAHTTBLMKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469713-B Aryl phosphorus oxide derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2023-09-01 CN disclosed
CN-116234556-A Crystal form of aryl phosphorus oxide derivative free alkali and preparation method and application thereof 江苏豪森药业集团有限公司 2023-06-06 CN disclosed
WO-2022127807-A1 CRYSTAL FORM OF ARYL PHOSPHORUS OXIDE DERIVATIVE FREE BASE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2022-06-23 WO disclosed
CN-114644654-A Oxidized aryl phosphorus derivative, acid salt or crystal form thereof, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-06-21 CN disclosed