SCHEMBL8968156

SCHEMBL8968156

CC(C)(C)c1ccc(C#N)cc1NC(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
CFD P00746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GSK3B P49841 2/20 0.47
EPHX2 P34913 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 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
SCHEMBL8970479 0.87 ALOX12 (0.68) GAAPOLBTHRBALOX12SMN1; SMN2
SCHEMBL8968160 0.82 CXCR2 (0.65) GAAPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL8970592 0.77 CXCR1 (0.47) GAAKDM4EALDH1A1HSD17B10CXCR1
SCHEMBL8970483 0.77 EPHX2 (0.43) GAAPOLBTHRBALOX12SMN1; SMN2
SCHEMBL7853764 0.77 NAMPT (0.50) CFDSMN1; SMN2CA12CA1CA2
SCHEMBL8968189 0.77 ALDH1A1 (0.43) GAATHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL18695146 0.76 NAMPT (0.64) POLBSMN1; SMN2HPGDHTTCA12
SCHEMBL7343971 0.75 IMPDH2 (0.62) SMN1; SMN2KDM4EALDH1A1GSK3BGLA
SCHEMBL8968165 0.75 NPC1 (0.52) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8968213 0.74 CCR3 (0.47) ALDH1A1CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
JP-7188151-A None JP disclosed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
JP-H07188151-A BIARYL UREA AND RELATED COMPOUND BRISTOL MYERS SQUIBB CO 1995-07-25 JP disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed