SCHEMBL4303568

SCHEMBL4303568

CCC(=O)NC(NC(=O)CC)Nc1nc(C)c2cc(C)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 4/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
KLK7 P49862 1/20 0.41
STAT3 P40763 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28874875 0.70 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL14148998 0.67 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL27341471 0.67 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3470444 0.66 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4409938 0.65 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL6183937 0.65 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL4099271 0.64 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4099273 0.64 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15450912 0.63 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL119513 0.63 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1SMN1; 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
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO disclosed