SCHEMBL28824360

SCHEMBL28824360

Cc1ccc(Oc2cncc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
XDH P47989 1/20 0.46
TEAD4 Q15561 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL1557265 0.85 LTA4H (0.45) ALDH1A1MEN1KMT2A
SCHEMBL7453614 0.84 POLB (0.41) POLB
SCHEMBL2955083 0.81 XDH (0.46) XDHMEN1KMT2AKCNH2SCN5A
SCHEMBL28824294 0.81 KCNH2 (0.46) XDHKCNH2SCN5ASCN9A
SCHEMBL29707595 0.81 KCNH2 (0.46) XDHKCNH2SCN5ASCN9A
SCHEMBL1555903 0.81 LTA4H (0.48) HTTRAB9AXDHTDP1
SCHEMBL23576461 0.81 TGFBR1 (0.39) TDP1KMT2A
SCHEMBL29972518 0.81 TGFBR1 (0.39) TDP1KMT2A
SCHEMBL23087952 0.81 XDH (0.49) HTTXDHALDH1A1MAPTTDP1
SCHEMBL23087206 0.80 SMN1; SMN2 (0.46) HTTRAB9ASMN1; SMN2PRMT5WDR77

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-114805192-A Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2022-07-29 CN disclosed