SCHEMBL30171496

SCHEMBL30171496

CCc1nc2c(ccc3ccccc32)c(O)c1C(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX3 P56373 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
P2RX1 P51575 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL14184834 0.76 P2RX3 (0.48) ATMKMT2AKDM4EP2RX3MEN1
SCHEMBL30171482 0.72 KMT2A (0.47) KMT2AKDM4EMAPK1P2RX3MEN1
SCHEMBL11043805 0.72 P2RX3 (0.41) P2RX3
SCHEMBL24864764 0.71 KDM4E (0.44) KMT2AKDM4EMAPK1L3MBTL1MEN1
SCHEMBL30171398 0.71 KDM4E (0.44) KMT2AKDM4EMAPK1L3MBTL1MEN1
SCHEMBL30171444 0.69 LDHA (0.38) KMT2AKDM4EMAPK1L3MBTL1
SCHEMBL29946524 0.69 ABCG2 (0.50) KMT2AKDM4EMEN1
SCHEMBL29946522 0.69 ABCG2 (0.50) KMT2AKDM4EMEN1
SCHEMBL24864709 0.68 ALDH1A1 (0.44) KMT2AKDM4EL3MBTL1MEN1NPC1
SCHEMBL10946606 0.68 KDM4E (0.46) KDM4EMAPK1L3MBTL1

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed