SCHEMBL13788849

SCHEMBL13788849

N=CC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 5/20 0.66
HPGD P15428 3/20 0.66
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 2/20 0.52
TNIK Q9UKE5 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL946592 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1912122 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5365142 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL45762 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL30139987 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL12172767 0.79 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1409830 0.77 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8640120 0.77 SMN1; SMN2 (0.79) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8640127 0.77 SMN1; SMN2 (0.79) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL894741 0.76 SIRT2 (0.70) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed