SCHEMBL24310084

SCHEMBL24310084

COc1cccc(SNc2nc(Oc3ccccc3F)cc(-c3ccccc3C(C)C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ CTSA P10619 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ MET P08581 1/20 0.32

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
SCHEMBL24310181 0.92 LMNA (0.37) LMNAHTTPFKFB3MEN1KMT2A
SCHEMBL24310231 0.91 LMNA (0.35) LMNAHTT
SCHEMBL24310613 0.91 LMNA (0.43) LMNAHTTMEN1KMT2ABRAF
SCHEMBL24310804 0.89 LMNA (0.39) LMNAHTTMAPT
SCHEMBL24310227 0.88 HTT (0.36) LMNAHTTCTSA
SCHEMBL24310141 0.87 LMNA (0.35) LMNAHTTBRAFCTSAKDR
SCHEMBL24309672 0.85 HTT (0.38) LMNAHTTKMT2AL3MBTL1BRAF
SCHEMBL24310216 0.85 LMNA (0.38) LMNAHTTBRAFADORA2A
SCHEMBL24310109 0.85 LMNA (0.38) LMNAHTTMEN1KMT2A
SCHEMBL29566627 0.81 ALPL (0.42) LMNAHTTKDR

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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