SCHEMBL30251995

SCHEMBL30251995

CC(C)c1c(Cl)nc2cc(Br)c(CBr)cc2c1-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL23884523 1.00 GCGR (0.33) GCGRMEN1KMT2APIK3R1PIK3CA
SCHEMBL23884482 0.91 MEN1 (0.33) GCGRMEN1KMT2A
SCHEMBL30251748 0.86 DHODH (0.36) MEN1KMT2A
SCHEMBL23884451 0.86 DHODH (0.36) MEN1KMT2A
SCHEMBL30251882 0.86 GCGR (0.34) GCGRMEN1KMT2A
SCHEMBL23884584 0.86 GCGR (0.34) GCGRMEN1KMT2A
SCHEMBL30251871 0.82 ALDH1A1 (0.37) GCGRMEN1KMT2A
SCHEMBL23884553 0.82 ALDH1A1 (0.37) GCGRMEN1KMT2A
SCHEMBL23884536 0.81 PTGS2 (0.37) MEN1KMT2A
SCHEMBL30251904 0.81 PTGS2 (0.37) MEN1KMT2A

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-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 CN disclosed