SCHEMBL30031445

SCHEMBL30031445

CC(C)n1cc(C(=O)Cl)c(=O)n(-c2ccccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ MERTK Q12866 1/20 0.37
▸ MET P08581 3/20 0.36
▸ AXL P30530 3/20 0.35
▸ MGLL Q99685 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL23749566 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15KMT2ANOTUMMERTK
SCHEMBL23071294 0.88 NOTUM (0.48) ALDH1A1KMT2ANOTUMMERTKMET
SCHEMBL29814279 0.88 NOTUM (0.48) ALDH1A1KMT2ANOTUMMERTKMET
SCHEMBL29625547 0.87 KMT2A (0.43) ALDH1A1KMT2ANOTUMMERTKMET
SCHEMBL22511513 0.80 AXL (0.47) MERTKMETAXL
SCHEMBL23749378 0.79 AXL (0.46) ALDH1A1NOTUMMERTKMETAXL
SCHEMBL23749475 0.76 AXL (0.38) ALDH1A1KMT2ANOTUMMERTKMET
SCHEMBL23749506 0.76 AXL (0.40) ALDH1A1KMT2ANOTUMMERTKMET
SCHEMBL31091475 0.75 NOTUM (0.49) ALDH1A1ALOX15KMT2ANOTUM
SCHEMBL30672106 0.73 MERTK (0.43) ALDH1A1ALOX15KMT2AMERTKMET

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-111196814-B Aromatic ring-linked dioxane quinazoline or quinoline compound, composition and application thereof 北京赛特明强医药科技有限公司 2022-12-06 — — CN disclosed
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