SCHEMBL6656016

SCHEMBL6656016

CC(C)CC(=O)Cn1cncn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EGLN3 Q9H6Z9 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5899076 0.82 EGLN3 (0.55) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL4291631 0.79 EGLN3 (0.48) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL3232702 0.78 MEN1 (0.50) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL7104938 0.76 EGLN3 (0.50) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL22234971 0.76 EGLN3 (0.48) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL3240872 0.75 EGLN3 (0.44) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL5746694 0.75
SCHEMBL9911457 0.74 KMT2A (0.65) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL10363553 0.72 MEN1 (0.46) MEN1KMT2AEGLN3CYP1A2CYP3A4
SCHEMBL7278106 0.72 EGLN3 (0.46) MEN1KMT2AEGLN3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
EP-1414302-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2004-05-06 EP disclosed
WO-2003009687-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2003-02-06 WO disclosed