SCHEMBL13494151

SCHEMBL13494151

NCCc1nnc(CF)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL17484184 0.80
SCHEMBL1785878 0.76 POLB (0.36) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL19867778 0.73
SCHEMBL1787840 0.71
SCHEMBL17079286 0.71 POLB (0.34) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL17328673 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
Hydrochloric Acid SCHEMBL4485250 0.70 POLB (0.42) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL1786847 0.67 ATR (0.35) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL1783046 0.67 POLB (0.34) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL15757228 0.65 TSHR (0.69) SMN1; SMN2POLBMAPT

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-7659026-B2 membrane electrodes; electrocatalysts; fuel cells E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-09 US disclosed