SCHEMBL27587718

SCHEMBL27587718

O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.71
CXCR2 P25025 3/20 0.71
PPIA P62937 2/20 0.65
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PPIF P30405 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CYP19A1 P11511 1/20 0.54
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
NOX1 Q9Y5S8 2/20 0.53
MAOB P27338 2/20 0.53
AR P10275 1/20 0.52

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
SCHEMBL5594982 0.85 CXCR2 (0.79) CXCR1CXCR2PPIAMEN1KMT2A
SCHEMBL5595180 0.84 CXCR2 (1.00) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL31222305 0.84 CXCR2 (1.00) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL7549877 0.84 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL7487951 0.83 CXCR1 (0.63) CXCR1CXCR2PPIAMEN1KMT2A
SCHEMBL5594999 0.82 CXCR2 (0.85) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL5387738 0.81 KCNMA1 (0.58) CXCR1CXCR2PPIAMEN1KMT2A
SCHEMBL5595009 0.81 CXCR1 (0.84) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL17287914 0.81 CXCR1 (0.70) CXCR1CXCR2MEN1KMT2AMAPT
SCHEMBL7553576 0.78 CXCR1 (0.74) CXCR1CXCR2MEN1KMT2AMAPT

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
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed