SCHEMBL27587708

SCHEMBL27587708

COC(=O)Nc1ccccc1N(C(N)=O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
CXCR2 P25025 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CXCR1 P25024 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.43
KCNMA1 Q12791 4/20 0.43
POLB P06746 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL27605681 0.84 NPC1 (0.54) ALDH1A1MEN1KMT2AMAPTKCNMA1
SCHEMBL27605659 0.83 CXCR2 (0.52) PKMALDH1A1CXCR2MEN1KMT2A
SCHEMBL27587733 0.83 MAPT (0.48) PKMHTTALDH1A1MEN1KMT2A
SCHEMBL27587711 0.82 GPR35 (0.51) HTTALDH1A1CXCR2KMT2ACXCR1
SCHEMBL27605657 0.80 GPR35 (0.49) ALDH1A1CXCR2MEN1KMT2ACXCR1
SCHEMBL27587736 0.79 TP53 (0.42) HTTALDH1A1CXCR2MEN1KMT2A
SCHEMBL4533530 0.79 CXCR2 (0.49) ALDH1A1CXCR2MEN1KMT2ACXCR1
SCHEMBL6820216 0.79 KMT2A (0.46) PKMHTTALDH1A1CXCR2MEN1
SCHEMBL29967745 0.79 CXCR2 (0.49) ALDH1A1CXCR2MEN1KMT2ACXCR1
SCHEMBL27605655 0.79 GPR35 (0.41) HTTALDH1A1CXCR2MEN1KMT2A

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