SCHEMBL3986231

SCHEMBL3986231

Cc1nc(CCCO)c([N+](=O)[O-])[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.32
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3469591 0.90 MAPT (0.49) MAPTALDH1A1GAAPKMMDM2
SCHEMBL30518402 0.83 PKM (0.40) MAPTPKM
SCHEMBL8663859 0.82 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8803147 0.81 MAPT (0.46) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8594839 0.79 ALDH1A1 (0.46) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL4269080 0.79 MAPT (0.49) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL7801786 0.77 ALDH1A1 (0.45) MAPTALDH1A1GAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.77 MAPT (0.47) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL9542124 0.75 MAPT (0.42) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL4413021 0.75 MAPT (0.44) MAPTALDH1A1GAAMDM2SMN1; SMN2

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
WO-2009058387-A2 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-05-07 WO disclosed