SCHEMBL8307172

SCHEMBL8307172

O=C(O)c1cccnc1-c1nccc(-c2cccc3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDC25B P30305 1/20 0.42
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL14936823 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8305333 0.81 KDM4E (0.59) KDM4EALDH1A1TDP1LMNAALOX12
SCHEMBL8308388 0.76 KMO (0.62) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL15901800 0.75 HTR2C (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL25780881 0.75 KDM4E (0.80) KDM4EALDH1A1TDP1LMNAALOX12
SCHEMBL13061160 0.75 NR4A1 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL18731803 0.74 MAPT (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8304580 0.74 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL28677807 0.72 PARP1 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31032166 0.72 PARP1 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A

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
EP-0739341-B1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES NOVARTIS AG (CH) 1999-06-02 EP disclosed