SCHEMBL11845003

SCHEMBL11845003

CCOC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
STAT3 P40763 1/20 0.55
PKM P14618 2/20 0.53
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
GPR174 Q9BXC1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL606148 0.92 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL2860350 0.88 MAPK1 (0.58) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4716807 0.87 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8672067 0.86 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL15319957 0.86 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11026402 0.85 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11851098 0.83 LMNA (0.55) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL7188349 0.82 MAPK1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL7188345 0.82 MAPK1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL22605900 0.82 MAPK1 (0.63) MAPTALDH1A1MAPK1NPSR1STAT3

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-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 US disclosed