SCHEMBL15906174

SCHEMBL15906174

C=NNC(=O)CNC(=O)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 3/20 0.58
MAPT P10636 1/20 0.58
MEN1 O00255 5/20 0.56
GPR139 Q6DWJ6 2/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR2 P41597 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL3717147 0.81 KMT2A (0.60) KMT2AALDH1A1MAPTMEN1GPR139
SCHEMBL27845658 0.80 ALDH1A1 (0.78) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL27827039 0.79 MAPT (0.72) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL2984329 0.79 KMT2A (0.60) KMT2AALDH1A1MEN1GPR139ATM
SCHEMBL13331944 0.77 PARP1 (0.58) KMT2AALDH1A1MEN1GPR139ATM
SCHEMBL8858800 0.76 KMT2A (0.61) KMT2AALDH1A1MAPTMEN1GPR139
SCHEMBL23014097 0.75 MEN1 (0.65) KMT2AALDH1A1MAPTMEN1GPR139
SCHEMBL10064202 0.75 MEN1 (0.65) KMT2AALDH1A1MEN1GPR139ATM
SCHEMBL10004955 0.74 KMT2A (0.62) KMT2AALDH1A1MAPTMEN1GPR139
SCHEMBL3815582 0.73 P2RX7 (0.55) KMT2AALDH1A1MEN1CYP1A2CYP2D6

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
US-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 US disclosed