SCHEMBL7716484

SCHEMBL7716484

Cn1ccnc1C(=O)CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
CES1 P23141 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.53
PLOD2 O00469 2/20 0.53
PLOD3 O60568 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PLOD1 Q02809 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL1045991 0.80 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL10952972 0.76 KMT2A (0.51) KMT2AHPGDMEN1SMN1; SMN2CYP3A4
SCHEMBL15979655 0.76 NAMPT (0.44) KMT2AHPGDMEN1SMN1; SMN2MAPT
SCHEMBL509681 0.76 NAMPT (0.42) KMT2AHPGDMEN1SMN1; SMN2MAPT
SCHEMBL12094827 0.74 NAMPT (0.43) KMT2AHPGDMEN1SMN1; SMN2MAPT
SCHEMBL1983161 0.74 NAMPT (0.41) KMT2AHPGDMEN1SMN1; SMN2MAPT
SCHEMBL28605586 0.73 CYP2D6 (0.45) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14583507 0.73 NAMPT (0.74) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL13319132 0.73 PLOD2 (0.46) KMT2AHPGDMEN1SMN1; SMN2MAPT
Dibenzoylmethane SCHEMBL28462129 0.73 KMT2A (0.90) KMT2AHPGDMEN1SMN1; SMN2CYP3A4

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-6392089-B1 DEBLOCKING USING RADIATION UNIVERSITY OF MARYLAND 2002-05-21 US disclosed