SCHEMBL28010665

SCHEMBL28010665

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
LMNA P02545 7/20 0.69
NPC1 O15118 6/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
HTT P42858 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
AURKA O14965 1/20 0.65
PIM1 P11309 1/20 0.65
CDK2 P24941 1/20 0.65
GSK3B P49841 1/20 0.65

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
SCHEMBL30542199 0.85 ALDH1A1 (0.64) MAPTLMNANPC1KDM4EMEN1
SCHEMBL27861123 0.84 KMT2A (0.68) MAPTLMNANPC1KDM4EMEN1
SCHEMBL3191246 0.82 NPC1 (1.00) MAPTLMNANPC1KDM4EMEN1
SCHEMBL899357 0.81 LMNA (0.61) MAPTLMNANPC1KDM4EMEN1
SCHEMBL1177730 0.80 MEN1 (1.00) MAPTLMNANPC1MEN1KMT2A
SCHEMBL6302157 0.80 MEN1 (1.00) MAPTLMNANPC1MEN1KMT2A
SCHEMBL7261477 0.80 SMN1; SMN2 (0.73) MAPTLMNANPC1MEN1KMT2A
SCHEMBL27861124 0.80 SMN1; SMN2 (0.73) MAPTLMNANPC1KDM4EMEN1
SCHEMBL4915214 0.80 SMN1; SMN2 (0.73) MAPTLMNANPC1KDM4EMEN1
SCHEMBL4600722 0.79 AURKA (1.00) MAPTLMNANPC1KDM4EMEN1

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-104650111-A Aryl urea and aryl amide substituted oxaole pyrimindine compounds as well as preparation method and application thereof UNIV CHINA PHARMA 2015-05-27 CN disclosed