SCHEMBL29150265

SCHEMBL29150265

CC(C(=O)O)n1cc(Br)c2c(=O)[nH]ncc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TRPC5 Q9UL62 1/20 0.32
USP5 P45974 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL27077655 0.84 ALDH1A1 (0.36) POLBALDH1A1KDM4E
SCHEMBL27077663 0.69 POLB (0.32) POLB
SCHEMBL27077881 0.67 KMT2A (0.43) POLBALDH1A1KDM4E
SCHEMBL27864609 0.60 ALDH1A1 (0.41) USP5ALDH1A1KDM4E
SCHEMBL8901336 0.59 GRIA1 (0.35) POLB
SCHEMBL23122468 0.59 ALDH1A1 (0.37) POLBALDH1A1KDM4E
SCHEMBL23123206 0.59 ALDH1A1 (0.40) POLBTRPC5ALDH1A1KDM4E
SCHEMBL506213 0.59 PTGS2 (0.45) USP5ALDH1A1KDM4E
SCHEMBL28645673 0.58 USP5 (0.33) USP5
SCHEMBL28643680 0.58 USP5 (0.33) USP5

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-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 CN disclosed