SCHEMBL13660740

SCHEMBL13660740

COCCC(O)n1c([N+](=O)[O-])cnc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
CHRM1 P11229 1/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
EGFR P00533 3/20 0.38
ERBB2 P04626 3/20 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
SCHEMBL10401900 0.81 MAPK1 (0.56) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL15570281 0.78 CA1 (0.48) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL811043 0.76 MAPK1 (0.60) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL28350340 0.75 MAPK1 (0.44) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL15570409 0.73 CA1 (0.46) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL13433889 0.73 MAPK1 (0.55) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL13849447 0.73 CA1 (0.68) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL28484741 0.73 MAPK1 (0.56) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL28927428 0.72 MAPK1 (0.51) MAPK1ATMCHRM1LMNAALDH1A1
SCHEMBL10463022 0.71 MAPK1 (0.51) MAPK1ATMCHRM1LMNAALDH1A1

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-7608612-B2 Radiosensitizer formulations and methods for use Matthews, Richard H. (US) 2009-10-27 US disclosed