SCHEMBL28058849

SCHEMBL28058849

O=[N+]([O-])c1cc[n+]([O-])cc1NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MAPK1 P28482 4/20 0.49
HCAR3 P49019 3/20 0.49
GAA P10253 3/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.43
WNK1 Q9H4A3 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL13719197 0.83 HTR3E (0.41) MAPTMAPK1HCAR3GAAGLA
SCHEMBL4138824 0.80 MAPK1 (0.75) MAPTMAPK1GAAHTTMEN1
SCHEMBL4726250 0.80 MAPT (0.43) MAPTMAPK1HCAR3GAACYP1A2
SCHEMBL4014589 0.79 HCAR3 (0.41) MAPTMAPK1HCAR3GAAGLA
SCHEMBL4015597 0.79 HCAR3 (0.41) MAPTMAPK1HCAR3GAAGLA
SCHEMBL27680575 0.79 HCAR3 (0.40) MAPTMAPK1HCAR3GAACYP1A2
SCHEMBL3605970 0.78 ALDH1A1 (0.50) MAPTMAPK1HTTALDH1A1L3MBTL1
SCHEMBL718625 0.76 MAPK1 (0.65) MAPTMAPK1HCAR3GAAGLA
SCHEMBL9260905 0.76 ALDH1A1 (0.45) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3057719 0.74 LMNA (0.50) MAPTMAPK1HCAR3GAAHTT

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-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 CN disclosed