SCHEMBL4692407

SCHEMBL4692407

COC(=O)C(=Cc1ccccc1OC)NC(=O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 7/20 0.60
NPC1 O15118 5/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GRM4 Q14833 7/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PKM P14618 2/20 0.46
SNCA P37840 1/20 0.46
HPGD P15428 1/20 0.44
CDK5 Q00535 1/20 0.44
PAX8 Q06710 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4692406 1.00 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4687303 0.90 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4687309 0.90 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4688953 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4688958 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4692202 0.81 KDM4E (0.60) SMN1; SMN2KDM4EMAPTGAASNCA
SCHEMBL4692207 0.81 KDM4E (0.60) SMN1; SMN2KDM4EMAPTGAASNCA
SCHEMBL4688681 0.81 LMNA (0.54) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL4688679 0.81 LMNA (0.54) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL27533555 0.79 KDM4E (0.54) RAB9ANPC1KDM4EMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed