SCHEMBL4727602

SCHEMBL4727602

CNS(=O)(=O)c1cc(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.42
BRAF P15056 9/20 0.42
TRPV1 Q8NER1 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA2A P29274 1/20 0.38
EPHA3 P29320 1/20 0.38
FRK P42685 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL4727533 0.93 RAF1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4726088 0.89 RAF1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4729210 0.87 TRPV1 (0.42) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4729484 0.86 TRPV1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4729212 0.86 TRPV1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4726226 0.84 RAF1 (0.46) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4726798 0.83 RAF1 (0.42) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL14292743 0.83 TRPV1 (0.39) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4730164 0.83 MAPK14 (0.53) RAF1BRAFEPHA3FRKMAPK14
SCHEMBL4781066 0.83 MAPK14 (0.55) RAF1EPHA3FRKMAPK14

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed