SCHEMBL25680841

SCHEMBL25680841

CC(=O)NCc1ncc(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.42
SETDB1 Q15047 4/20 0.40
VHL P40337 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
MTNR1A P48039 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL18611254 0.79 NPSR1 (0.41) NPSR1ALOX15VHLKMT2AKDM4E
SCHEMBL25097602 0.79 NPSR1 (0.41) NPSR1ALOX15VHLKMT2AHDAC1
SCHEMBL14590706 0.79 NPSR1 (0.52) NPSR1ALOX15SETDB1KMT2AKDM4E
SCHEMBL13868069 0.78 P2RX3 (0.34) P2RX3P2RX2MAPTRAB9A
SCHEMBL16131996 0.76 NPSR1 (0.53) NPSR1ALOX15SETDB1VHLMAPT
SCHEMBL13865274 0.75 L3MBTL1 (0.44) KDM4E
SCHEMBL13309400 0.75 P2RX3 (0.39) KMT2AKDM4EP2RX3P2RX2MAPT
SCHEMBL3387105 0.72 SETDB1 (0.47) NPSR1SETDB1VHLPOLB
SCHEMBL16136259 0.72 KDM4E (0.45) NPSR1ALOX15SETDB1VHLKMT2A
SCHEMBL15750231 0.71 SETDB1 (0.44) NPSR1ALOX15SETDB1VHLKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed