SCHEMBL13458341

SCHEMBL13458341

CNc1nc(O)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 13/20 0.54
CYP3A4 P08684 10/20 0.54
CYP2D6 P10635 8/20 0.54
CYP2C19 P33261 8/20 0.54
HSD17B10 Q99714 7/20 0.54
CLK4 Q9HAZ1 6/20 0.54
USP2 O75604 4/20 0.54
ALOX15 P16050 3/20 0.54
CYP2C9 P11712 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 3/20 0.53
CYP1A1 P04798 2/20 0.53
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL28483564 0.79 NPY5R (0.66) KDM4ECLK4ALDH1A1TP53MEN1
SCHEMBL12736488 0.78 LMNA (0.61) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL14606852 0.78 BCHE (0.68) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL19933276 0.78 KDM4E (0.59) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL1622223 0.77 CYP1A2 (0.61) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL4532312 0.77 APP (0.67) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL12322126 0.77 CYP1A2 (0.61) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL12261733 0.77 KDM4E (0.59) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL1084165 0.76 CYP1A2 (0.70) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL31649377 0.74 KDM4E (0.56) KDM4ELMNACYP1A2CYP3A4CYP2D6

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
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed