SCHEMBL5234409

SCHEMBL5234409

CC(=C(C#N)C#N)N1CCCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
MAPT P10636 4/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL5232551 0.94 MAPT (0.53) AKR1C3MAPTHTTKDM4EMEN1
Phenylpiperazine SCHEMBL5667738 0.86 ADRB1 (0.56) MAPTHTTKDM4EMEN1KMT2A
SCHEMBL5235602 0.81 AKR1C3 (0.44) AKR1C3MAPTHTTKDM4EMEN1
SCHEMBL5235613 0.81 AKR1C3 (0.44) AKR1C3MAPTHTTKDM4EMEN1
SCHEMBL5230976 0.79 AKR1C3 (0.42) AKR1C3MAPTHTTKDM4EMEN1
SCHEMBL5230967 0.79 AKR1C3 (0.42) AKR1C3MAPTHTTKDM4EMEN1
SCHEMBL5237445 0.79 CDK8 (0.49) AKR1C3MAPTHTTMEN1KMT2A
SCHEMBL15707566 0.76 AKR1C3 (0.65) AKR1C3MAPTMEN1KMT2AUSP2
SCHEMBL27675667 0.76 MEN1 (0.55) AKR1C3MAPTMEN1KMT2AUSP2
SCHEMBL5229423 0.74 PHGDH (0.48) AKR1C3MAPTHTTKDM4EMEN1

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed