SCHEMBL27355463

SCHEMBL27355463

Cc1c(NC(=O)CN(C)C)ccc2c1COC(NCCc1ccccc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.38
POLB P06746 1/20 0.36
GLS O94925 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL27381422 0.89 LTA4H (0.39) POLBNPC1ALDH1A1KMT2AKDM4E
SCHEMBL27355461 0.87 F2 (0.38) NPC1ALDH1A1KMT2AMEN1
SCHEMBL27363422 0.85 KMT2A (0.44) POLBNPC1KMT2AMEN1MAPT
SCHEMBL27383640 0.85 ALDH1A1 (0.41) POLBNPC1ALDH1A1KMT2AKDM4E
SCHEMBL27357166 0.83 ATM (0.44) NPC1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL27362428 0.76 PKM (0.35) NPC1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL27364669 0.74 NPC1 (0.34) NPC1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL27362385 0.73 TAAR1 (0.37) NPC1ALDH1A1KDM4EHDAC8
SCHEMBL6807033 0.70 CTRB1 (0.50) CTRB1POLBGLSNPC1ALDH1A1
SCHEMBL6498375 0.70 CTRB1 (0.68) CTRB1GLSALDH1A1

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
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed