SCHEMBL14542508

SCHEMBL14542508

O=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccc([N+](=O)[O-])cc1)N2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 2/20 0.80
USP7 Q93009 2/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 2/20 0.70
MAPT P10636 2/20 0.70
GRK6 P43250 1/20 0.69
CYBB P04839 1/20 0.64
HSPA1A P0DMV8 2/20 0.61
CD44 P16070 2/20 0.61
MSN P26038 2/20 0.61
PTPN7 P35236 2/20 0.61
EZH2 Q15910 2/20 0.61
GAPDH P04406 1/20 0.61
HSPA8 P11142 1/20 0.61
MASP2 O00187 1/20 0.59
PTPN1 P18031 1/20 0.59
CDC25B P30305 1/20 0.59
AKT1 P31749 1/20 0.59
AR P10275 2/20 0.58

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
SCHEMBL13780110 0.91 MAPT (0.72) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL14542507 0.91 MAPT (0.72) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL13856206 0.89 NR4A1 (1.00) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL25602307 0.88 USP7 (0.87) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL23949811 0.86 MAPT (0.81) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL681674 0.86 MAPT (0.81) NR4A1USP7MEN1KMT2AKDM4E
SCHEMBL23950052 0.85 MAPT (0.76) NR4A1MEN1KMT2AKDM4EMAPT
SCHEMBL23949489 0.85 MAPT (0.76) NR4A1MEN1KMT2AKDM4EMAPT
SCHEMBL23949812 0.85 MAPT (0.76) NR4A1MEN1KMT2AKDM4EMAPT
SCHEMBL17458830 0.85 MAPT (0.76) NR4A1MEN1KMT2AKDM4EMAPT

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-2007048042-A2 SMALL MOLECULE INHIBITORS OF HIV-1 CAPSID ASSEMBLY UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 2007-04-26 WO disclosed