SCHEMBL27587733

SCHEMBL27587733

COc1ccccc1N(C(N)=O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KCNMA1 Q12791 2/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27587712 0.91 MAPT (0.46) MAPTKMT2AMEN1KCNMA1HTT
SCHEMBL27605673 0.86 MAPT (0.44) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL27587711 0.84 GPR35 (0.51) MAPTKMT2AKCNMA1HTTTDP1
SCHEMBL27560714 0.84 TP53 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27587741 0.83 CYP19A1 (0.51) MAPTKMT2AMEN1ALDH1A1
SCHEMBL27605657 0.83 GPR35 (0.49) MAPTKMT2AMEN1KCNMA1TDP1
SCHEMBL7489708 0.82 ALDH1A1 (0.41) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL27587736 0.82 TP53 (0.42) MAPTKMT2AMEN1KCNMA1HTT
SCHEMBL4533530 0.81 CXCR2 (0.49) MAPTKMT2AMEN1KCNMA1TDP1
SCHEMBL29967745 0.81 CXCR2 (0.49) MAPTKMT2AMEN1KCNMA1TDP1

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