SCHEMBL15640486

SCHEMBL15640486

O=C(NN1CCCc2ccccc21)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NOTUM Q6P988 1/20 0.48
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1716131 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL27745558 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
Hydrochloric Acid SCHEMBL1859868 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL10440938 0.80 NOTUM (0.59) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL1859866 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
Benzene SCHEMBL7956618 0.79 NOTUM (0.58) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL27553596 0.79 TSHR (0.56) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL7954952 0.77 SIGMAR1 (0.54) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL28941360 0.77 L3MBTL1 (0.64) SMN1; SMN2NOTUMPOLBRECQLALDH1A1
SCHEMBL27483254 0.77 NOTUM (0.51) SMN1; SMN2NOTUMPOLBRECQLALDH1A1

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-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed