SCHEMBL7554261

SCHEMBL7554261

NC(=O)OCc1ccc(NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP10 Q53GL7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 2/20 0.37
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PLAU P00749 1/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL30437401 0.85 KMT2A (0.50) MEN1KMT2ANPSR1PARP10SMN1; SMN2
SCHEMBL17621874 0.85 MAPT (0.40) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL19622209 0.83 MAPT (0.39) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL18752265 0.83 APP (0.45) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL27280760 0.80 ALDH1A1 (0.39) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL21862103 0.80 MEN1 (0.60) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL18874604 0.80 ADRA2A (0.46) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL143772 0.79 MEN1 (0.61) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL26509715 0.79 KMT2A (0.44) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL15669285 0.79 LTA4H (0.59) MEN1KMT2AMAPTTP53KDM4E

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
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed