SCHEMBL27587727

SCHEMBL27587727

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.42
GPR35 Q9HC97 2/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
CXCR1 P25024 3/20 0.40
CXCR2 P25025 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PABPC1 P11940 1/20 0.38

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
SCHEMBL27587711 0.88 GPR35 (0.51) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL27605657 0.86 GPR35 (0.49) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL27605655 0.85 GPR35 (0.41) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL4533530 0.85 CXCR2 (0.49) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL6820216 0.85 KMT2A (0.46) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL29967745 0.85 CXCR2 (0.49) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL27587702 0.83 MGLL (0.45) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL27587736 0.82 TP53 (0.42) KCNMA1GPR35GAATHRBCXCR1
SCHEMBL6823913 0.82 SIGMAR1 (0.50) GPR35THRBKMT2AMEN1LMNA
SCHEMBL27587704 0.82 GPR35 (0.42) KCNMA1GPR35GAATHRBCXCR1

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