SCHEMBL6231187

SCHEMBL6231187

CCNC(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OC)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PABPC1 P11940 1/20 0.55
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
MAOB P27338 2/20 0.45
FFAR1 O14842 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL6540586 0.87 MEN1 (0.54) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6539604 0.85 MEN1 (0.53) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6540380 0.84 MEN1 (0.52) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6206366 0.83 MEN1 (0.56) MEN1KMT2APABPC1ACACBACACA
Hydrochloric Acid SCHEMBL6207662 0.82 MEN1 (0.55) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6208425 0.79 MEN1 (0.56) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6539764 0.77 MEN1 (0.50) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6209712 0.75 MEN1 (0.56) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6199617 0.75 MAPT (0.53) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6206679 0.75 MEN1 (0.52) MEN1KMT2APABPC1ACACBACACA

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-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed