SCHEMBL1426742

SCHEMBL1426742

O=C(O)CC(c1ccc(Cl)cc1Cl)C1CC1(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 4/20 0.44
▸ CACNA1G O43497 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CTSA P10619 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1348375 0.75 SLC6A3 (0.49) CNR1CNR2
SCHEMBL1350846 0.72 NPSR1 (0.36) CNR1CNR2
SCHEMBL8667654 0.71 EEF2K (0.49) EEF2KFFAR1RECQLSMN1; SMN2
SCHEMBL5721003 0.70 LMNA (0.50) EEF2KSMN1; SMN2
SCHEMBL5721001 0.70 LMNA (0.50) EEF2KSMN1; SMN2
SCHEMBL19420118 0.70 EEF2K (0.48) EEF2KCTSAFFAR1RECQLSMN1; SMN2
SCHEMBL17755077 0.70 FFAR1 (0.56) EEF2KFFAR1SMN1; SMN2
SCHEMBL19420103 0.70 EEF2K (0.48) EEF2KCTSAFFAR1RECQLSMN1; SMN2
SCHEMBL3865104 0.68 EEF2K (0.46) EEF2KCACNA1GCTSAFFAR1RECQL
SCHEMBL21851962 0.68 LMNA (0.47) EEF2KFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300423-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 — — EP disclosed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 — — WO disclosed
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