SCHEMBL12536747

SCHEMBL12536747

CCCN(C(=O)c1ccc(OC)c(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.57
PDE10A Q9Y233 2/20 0.48
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL12536501 0.85 CXCR3 (0.48) CXCR3PDE10AMEN1KMT2A
SCHEMBL12463991 0.84 CXCR3 (0.55) CXCR3LMNAMAPTSMN1; SMN2MEN1
SCHEMBL12463993 0.76 CXCR3 (0.65) CXCR3PDE10AMEN1KMT2A
SCHEMBL12463668 0.75 CXCR3 (0.56) CXCR3PDE10AMEN1KMT2A
SCHEMBL12464002 0.73 CXCR3 (0.50) CXCR3PDE10ALMNASMN1; SMN2MEN1
SCHEMBL12464100 0.73 CXCR3 (0.67) CXCR3
SCHEMBL13633678 0.73 CXCR3 (0.66) CXCR3
SCHEMBL12829869 0.72 CXCR3 (0.56) CXCR3
SCHEMBL16152253 0.71 CXCR3 (0.58) CXCR3PDE10A
SCHEMBL449210 0.71 CXCR3 (0.59) CXCR3PDE10ALMNAMEN1KMT2A

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-2329822-A1 Compositions and methods of treatment of cancer Minerva Biotechnologies Corporation (US) 2011-06-08 EP disclosed