SCHEMBL7860985

SCHEMBL7860985

C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.65
CXCR2 P25025 3/20 0.65
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KCNMA1 Q12791 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NR3C1 P04150 1/20 0.50
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7859389 1.00 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859387 1.00 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7859852 0.88 CXCR1 (0.68) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7861107 0.84 CXCR1 (0.63) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7488280 0.82 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL3461321 0.81 HSD17B10 (0.70) MEN1KMT2AHSD17B10MAPTLMNA
SCHEMBL10577831 0.81 HSD17B10 (0.70) MEN1KMT2AHSD17B10MAPTLMNA
SCHEMBL7861284 0.81 CXCR1 (0.59) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595104 0.80 CXCR1 (0.80) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL10572874 0.80 HSD17B10 (0.57) CXCR1CXCR2MEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915651-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6271261-B1 CHEMOKINE MEDIATED DISEASES, BINDING INTERLEUKINS OR BETA-RECEPTORS AND ADMINISTERING TO MAMMALS SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
EP-0915651-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
WO-1997049286-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed