SCHEMBL9760872

SCHEMBL9760872

CCOc1nc([N+](=O)[O-])c(N2CCOCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 2/20 0.46
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CA P42336 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL9762505 0.80 KMT2A (0.44) SMN1; SMN2MAPK1MAPTKMT2AMEN1
SCHEMBL9762166 0.72 MAPT (0.46) SMN1; SMN2MAPK1L3MBTL1MAPTKMT2A
SCHEMBL9761629 0.70 MAPT (0.42) SMN1; SMN2MAPK1L3MBTL1MAPTKMT2A
SCHEMBL9762467 0.68 MAPT (0.35) MAPTALDH1A1GAA
SCHEMBL9762513 0.67 MAPT (0.43) SMN1; SMN2MAPK1L3MBTL1MAPTKMT2A
SCHEMBL9761650 0.65 L3MBTL1 (0.40) SMN1; SMN2ATML3MBTL1MAPTKMT2A
SCHEMBL6377084 0.64 LMNA (0.58) SMN1; SMN2MAPK1L3MBTL1MAPTKMT2A
SCHEMBL9762562 0.64 ALDH1A1 (0.38) MAPK1L3MBTL1MAPTKMT2AMEN1
SCHEMBL9761852 0.64 L3MBTL1 (0.41) SMN1; SMN2ATML3MBTL1MAPTKMT2A
SCHEMBL28158993 0.64 SMN1; SMN2 (0.93) SMN1; SMN2MAPK1ATML3MBTL1MAPT

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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed