SCHEMBL4209294

SCHEMBL4209294

NC(=O)NC=O.O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2-c2ccccc2)CC1CCCn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.42
FABP1 P07148 4/20 0.38
GAA P10253 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4217064 0.85 FABP1 (0.42) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4212852 0.82 FABP1 (0.45) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4208499 0.82 GAA (0.47) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4208204 0.82 ALDH1A1 (0.44) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4214876 0.82 FABP1 (0.40) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4220008 0.76 ALDH1A1 (0.40) FABP1GAAALDH1A1MAPK1MAPT
SCHEMBL4038496 0.74 PSEN1 (0.39) ALDH1A1KMT2AHTT
SCHEMBL4032554 0.71 QPCT (0.47) QPCTFABP1GAAALDH1A1MAPT
SCHEMBL4034972 0.71 QPCT (0.47) QPCTFABP1GAAALDH1A1MAPT
SCHEMBL4037792 0.71 ALDH1A1 (0.37) GAAALDH1A1PKMTSHRMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed