SCHEMBL27587729

SCHEMBL27587729

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
GPR35 Q9HC97 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 4/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL110420 0.81 ALDH1A1 (0.52) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27587711 0.79 GPR35 (0.51) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL9626541 0.77 ITGA4 (0.47) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL7918653 0.75 CYP3A4 (0.47) ALDH1A1GAAHTTTSHRSMN1; SMN2
SCHEMBL27605699 0.74 GPR35 (0.46) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27587814 0.73 GPR35 (0.45) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27587702 0.72 MGLL (0.45) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27605676 0.71 ALDH1A1 (0.43) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27587720 0.71 GPR35 (0.43) ALDH1A1GPR35L3MBTL1GAATHRB
SCHEMBL27562642 0.71 ALDH1A1 (0.47) ALDH1A1GPR35GAATHRBTP53

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