SCHEMBL6664133

SCHEMBL6664133

CCOP(=O)(Cc1cc(Br)cnc1N)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
EGFR P00533 2/20 0.35
MAPT P10636 1/20 0.34
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
SHMT2 P34897 1/20 0.32
MEN1 O00255 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
SCHEMBL30669244 0.84 MAPT (0.36) HTTKDM4EEGFRMAPTCCNT1
SCHEMBL13640315 0.84 MAPT (0.36) HTTKDM4EEGFRMAPTCCNT1
SCHEMBL23363895 0.82 CCNT1 (0.35) HTTKDM4EEGFRMAPTCCNT1
SCHEMBL68962 0.78 KMT2A (0.54) HTTKMT2AHSD17B10KDM4EMAPT
SCHEMBL15260198 0.76 TSHR (0.39) HTTKMT2AKDM4EEGFRMAPT
SCHEMBL2067939 0.74 KMT2A (0.46) HTTKMT2AHSD17B10KDM4EMAPT
SCHEMBL6665940 0.74 NOS3 (0.38) EGFRCCNT1CDK9NPC1TSHR
SCHEMBL10022793 0.73 MAPT (0.44) HTTKMT2AEGFRMAPTCCNT1
SCHEMBL3373620 0.73 MAPT (0.44) HTTKMT2AEGFRMAPTCCNT1
SCHEMBL12798326 0.73 EGFR (0.40) HTTKMT2AEGFRMAPTCCNT1

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-2004013139-A2 PROCESS FOR PREPARING 7-AZAINDOLES EISAI CO., LTD (JP) 2004-02-12 WO disclosed