SCHEMBL28094372

SCHEMBL28094372

CCc1cncc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
NPBWR1 P48145 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7674650 0.82 TSHR (0.39) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL12466487 0.81 SMN1; SMN2 (0.38) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL5116443 0.81 GAA (0.40) POLBHTTSMN1; SMN2TSHRGAA
SCHEMBL287221 0.79 SMN1; SMN2 (0.37) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL5252228 0.79 CYP19A1 (0.55) HTTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL3717744 0.78 SMN1; SMN2 (0.36) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL9570744 0.77 HTT (0.57) POLBHTTSMN1; SMN2NPBWR1TSHR
SCHEMBL5495288 0.77 HTT (0.57) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL24534037 0.77 ALDH1A1 (0.39) POLBHTTSMN1; SMN2TSHRLMNA
SCHEMBL14782135 0.75 POLB (0.49) POLBSMN1; SMN2TSHRLMNACYP1A2

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-105916503-A Heteroaryls and uses thereof 米伦纽姆医药公司 2016-08-31 CN disclosed