SCHEMBL14972705

SCHEMBL14972705

CCC1C[C@H](NC(=O)O)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CHRM4 P08173 1/20 0.35
MAPT P10636 8/20 0.35
ALDH1A1 P00352 7/20 0.35
HTT P42858 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL14972704 1.00 KMT2A (0.37) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL11899314 1.00 KMT2A (0.37) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL11899315 1.00 KMT2A (0.37) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL2276354 0.91 PIM1 (0.37) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL2276357 0.91 PIM1 (0.37) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL4433871 0.90 MEN1 (0.41) KMT2AMEN1CHRM4MAPTALDH1A1
SCHEMBL4132725 0.88 DRD2 (0.37) KMT2APIM1PIM3PIM2MAPT
SCHEMBL11912162 0.88 DRD2 (0.37) KMT2APIM1PIM3PIM2MAPT
SCHEMBL1710224 0.87 MAPT (0.42) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL1710226 0.87 MAPT (0.42) KMT2AMEN1PIM1PIM3PIM2

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-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed