SCHEMBL24310231

SCHEMBL24310231

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NSc2cccc(OC(F)F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ DHODH Q02127 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4B Q07343 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
SCHEMBL24310084 0.91 LMNA (0.36) LMNAHTT
SCHEMBL24310613 0.89 LMNA (0.43) LMNAHTTDHODH
SCHEMBL24310804 0.88 LMNA (0.39) LMNAHTT
SCHEMBL24310227 0.87 HTT (0.36) LMNAHTT
SCHEMBL24310141 0.85 LMNA (0.35) LMNAHTTTP53
SCHEMBL24310181 0.85 LMNA (0.37) LMNAHTTDHODHTP53SMN1; SMN2
SCHEMBL24310216 0.84 LMNA (0.38) LMNAHTTDHODHTP53SMN1; SMN2
SCHEMBL24310109 0.84 LMNA (0.38) LMNAHTT
SCHEMBL24310230 0.82 TDP1 (0.42) LMNAHTTSMN1; SMN2
SCHEMBL29566388 0.82 TDP1 (0.42) LMNAHTTSMN1; SMN2

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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