SCHEMBL8834901

SCHEMBL8834901

O=C(O)c1c(-c2ccc3ccccc3n2)ccc2cc3ccccc3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 6/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
MGAM O43451 1/20 0.45
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42
CYSLTR1 Q9Y271 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
PDE10A Q9Y233 1/20 0.40
POLB P06746 3/20 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
SCHEMBL8418459 0.79 KDM4E (0.56) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL2223207 0.77 AR (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28978243 0.77 NPC1 (0.49) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28129138 0.77 RAB9A (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5106250 0.72 RAB9A (0.62) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5888794 0.72 NPC1 (0.61) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL43510 0.72 KDM4E (0.60) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL29506855 0.72 KDM4E (0.60) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL929603 0.72 ALDH1A1 (0.60) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL11363544 0.71 ALDH1A1 (0.47) MEN1KMT2AKDM4ECYP1A2CYP2C19

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
JP-9188665-A None JP disclosed
JP-H09188665-A NEW SUBSTITUTED N-QUINOLYLANTHRANYL ACID REDIVATIVE AND PRODUCTION OF THE SAME KYORIN PHARMACEUT CO LTD 1997-07-22 JP disclosed