SCHEMBL28811500

SCHEMBL28811500

Cc1cccc(O[PH](=O)O)c1Br

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
HCAR1 Q9BXC0 2/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PTPN1 P18031 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ATM Q13315 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
TSHR P16473 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
SCHEMBL28811499 0.85 MAPT (0.35) MAPTHCAR1ALDH1A1TDP1MEN1
SCHEMBL545054 0.81 MAPT (0.47) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL4451596 0.80 TSHR (0.41) MAPTTDP1MEN1KMT2AATM
SCHEMBL10589808 0.74 ALDH1A1 (0.40) ALDH1A1PTPN1MEN1KMT2AATM
SCHEMBL30716857 0.73 CA1 (0.35) MAPTALDH1A1POLBTDP1KMT2A
SCHEMBL3363981 0.72 GRM4 (0.39) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL31560449 0.72 GRM4 (0.39) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL6351831 0.72 PTPN1 (0.53) MAPTALDH1A1POLBTDP1PTPN1
SCHEMBL4588874 0.71 CA1 (0.48) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL29863822 0.71 CA1 (0.48) MAPTALDH1A1POLBTDP1MEN1

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
CN-113185404-B 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2022-08-05 CN disclosed