SCHEMBL17328673

SCHEMBL17328673

NCCc1nnc(C(F)(F)F)o1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.33
RECQL P46063 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
POLB P06746 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
SCHEMBL16057456 0.83 NOTUM (0.38) EPHX2HDAC6GRIN1GRIN2B
SCHEMBL1783046 0.79 POLB (0.34) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL14410036 0.79 EPHX2 (0.33) EPHX2HDAC6
Hydrochloric Acid SCHEMBL3718065 0.78 POLB (0.36) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL24302233 0.76 NOTUM (0.39) EPHX2HDAC6GRIN1GRIN2B
SCHEMBL725711 0.74 ALDH1A1 (0.38) ALDH1A1EPHX2HDAC6GRIN1GRIN2B
SCHEMBL13494151 0.71 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPSR1RECQLLOXL2
SCHEMBL1829308 0.71 EPHX2 (0.45) EPHX2HDAC6
SCHEMBL18367824 0.71 EPHX2 (0.33) EPHX2HDAC6GRIN1GRIN2B
SCHEMBL7885449 0.71 EPHX2 (0.33) EPHX2HDAC6GRIN1GRIN2B

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
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed