SCHEMBL19903078

SCHEMBL19903078

N=C/C=N\Nc1ccccc1C(=O)N1CCNOCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCC1 P33527 1/20 0.35
ADRA1D P25100 1/20 0.35

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
SCHEMBL12025040 0.82 RXFP1 (0.46) LMNAKMT2ARXFP1MAPTADRA1A
SCHEMBL17856314 0.73 PARP1 (0.40) KMT2ATSHRRXFP1MAPTALDH1A1
SCHEMBL16453477 0.71 TSHR (0.47) LMNAKMT2ATSHRMAPTALDH1A1
SCHEMBL19903067 0.71 LMNA (0.35) LMNAKMT2ATSHRMAPTALDH1A1
SCHEMBL19902996 0.70 KMT2A (0.52) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL17724395 0.70 NPSR1 (0.56) LMNAKMT2ATSHRMAPTALDH1A1
SCHEMBL22877134 0.69 KDM4E (0.45) LMNAKMT2AMAPTALDH1A1TP53
SCHEMBL19652346 0.68 NPSR1 (0.38) KMT2ATSHRGAA
SCHEMBL23018165 0.68 PARP1 (0.36) RXFP1
SCHEMBL19902985 0.68 HCRTR2 (0.47)

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-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed