SCHEMBL6568613

SCHEMBL6568613

CC(C)(C)CC(C)(C)NC(=O)Nc1cccc(Cl)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 4/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
MAPK14 Q16539 6/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4359261 0.82 KMT2A (0.54) KMT2AMEN1MAPK1POLBHTT
SCHEMBL6565420 0.80 MEN1 (0.51) KMT2AMEN1MAPK1POLBHTT
SCHEMBL10767715 0.75 TAS1R3 (0.46) KMT2AMEN1POLBHTTMAPT
SCHEMBL6568668 0.73 GAA (0.61) KMT2AMEN1MAPK1POLBHTT
SCHEMBL7507310 0.71 ALDH1A1 (0.68) KMT2AMEN1MAPK1HTTMAPT
SCHEMBL29649017 0.71 ALDH1A1 (0.68) KMT2AMEN1MAPK1HTTMAPT
SCHEMBL4342367 0.71 HTT (0.47) KMT2AMEN1MAPK1POLBHTT
SCHEMBL11791658 0.71 GPR35 (0.59) KMT2AMEN1CXCR1CXCR2SLC22A12
SCHEMBL28718277 0.70 TAS1R3 (0.42) KMT2AMEN1MAPTSMN1; SMN2CXCR1
SCHEMBL27371005 0.70 MEN1 (0.50) KMT2AMEN1POLBHTTSMN1; SMN2

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed