SCHEMBL24310227

SCHEMBL24310227

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGER4 P35408 1/20 0.30
▸ CTSA P10619 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL24310613 0.92 LMNA (0.43) HTTLMNACTSABRD4
SCHEMBL24310804 0.90 LMNA (0.39) HTTLMNABRD4
SCHEMBL24310084 0.88 LMNA (0.36) HTTLMNACTSA
SCHEMBL24310141 0.88 LMNA (0.35) HTTLMNAALDH1A1HPGDKDM4E
SCHEMBL24310231 0.87 LMNA (0.35) HTTLMNA
SCHEMBL24310109 0.86 LMNA (0.38) HTTLMNABRD4
SCHEMBL24310216 0.86 LMNA (0.38) HTTLMNABRD4
SCHEMBL24310181 0.85 LMNA (0.37) HTTLMNACTSA
SCHEMBL24309672 0.82 HTT (0.38) HTTLMNAALDH1A1HPGDKDM4E
SCHEMBL24309661 0.81 LMNA (0.37) HTTLMNABRD4

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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