SCHEMBL14748024

SCHEMBL14748024

Bc1cnc(NC)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
GALR2 O43603 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.40
AHR P35869 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
HCAR3 P49019 1/20 0.34
PKM P14618 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
FGFR4 P22455 1/20 0.34
JAK2 O60674 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSF1 Q00613 1/20 0.33

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
SCHEMBL6634074 0.81 ALDH1A1 (0.57) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL2267794 0.81 POLB (0.51) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL30807120 0.81 ALDH1A1 (0.57) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL790395 0.79 POLB (0.50) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL6832051 0.79 POLB (0.50) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL28897809 0.77 POLB (0.47) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL15828585 0.77 LMNA (0.47) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL7878609 0.77 SMN1; SMN2 (0.39) POLBLMNAGALR2SMN1; SMN2ALDH1A1
SCHEMBL13259319 0.76 MAPT (0.43) POLBLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL2684241 0.76 HCAR3 (0.55) POLBLMNAGALR2ALDH1A1TDP1

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-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed