SCHEMBL5045018

SCHEMBL5045018

CCCCCCCCCCCc1csc(-c2ccc(C(Cc3ccc(C(F)(F)F)cc3)[N][O])cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.45
LMNA P02545 6/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39

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
SCHEMBL4322789 0.79 TP53 (0.51) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL5047430 0.78 HDAC8 (0.53)
SCHEMBL5045025 0.78 TP53 (0.47) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL6804927 0.76 TP53 (0.46) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL4320499 0.75 TP53 (0.44) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL4670229 0.75 TP53 (0.49) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL1854166 0.75 TP53 (0.49) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL5047553 0.74 TAAR1 (0.39)
SCHEMBL5046020 0.72 PPARG (0.53)
SCHEMBL4320498 0.72 TP53 (0.47) TP53LMNAMAPTKDM4ESMN1; 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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed