SCHEMBL27587713

SCHEMBL27587713

COc1ccc(N(C(N)=O)c2cccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR35 Q9HC97 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 2/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 3/20 0.38
RAF1 P04049 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
PTPN1 P18031 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL27587706 0.84 GPR35 (0.50) ALDH1A1L3MBTL1GPR35MAPTKMT2A
SCHEMBL27587707 0.81 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1GPR35HPGD
SCHEMBL27515595 0.78 NPC1 (0.41) ALDH1A1LMNAL3MBTL1HPGDMAPT
SCHEMBL27500838 0.76 TRPM8 (0.43) LMNAHPGDMAPTNPC1RAB9A
SCHEMBL3018832 0.76 MAPT (0.48) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL27566072 0.74 GPR35 (0.47) ALDH1A1LMNAL3MBTL1GPR35SMN1; SMN2
SCHEMBL7488276 0.74 MAPT (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2HPGD
SCHEMBL8371717 0.74 P2RX1 (0.46) ALDH1A1LMNAGPR35SMN1; SMN2MAPT
SCHEMBL3470955 0.73 CA1 (0.55) SMN1; SMN2MAPTNPC1RAB9ACA2
SCHEMBL27311079 0.73 PLAU (0.42) ALDH1A1L3MBTL1GPR35MAPTKMT2A

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