SCHEMBL8968160

SCHEMBL8968160

CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.65
CXCR1 P25024 2/20 0.65
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 1/20 0.49
RAF1 P04049 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
P2RY1 P47900 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL8968747 0.87 CXCR1 (0.49) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8968218 0.85 CYP11B1 (0.54) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8970592 0.84 CXCR1 (0.47) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8970501 0.83 CXCR1 (0.45) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8968156 0.82 GAA (0.49) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL8968824 0.82 CXCR2 (0.44) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8968827 0.82 CXCR2 (0.44) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8968165 0.81 NPC1 (0.52) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL8968189 0.81 ALDH1A1 (0.43) CXCR2CXCR1KMT2AMEN1MAPT
SCHEMBL7489930 0.79 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1MAPT

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-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed