SCHEMBL7526257

SCHEMBL7526257

COC(=O)c1ccc([N+](=O)[O-])cc1OCCCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.43
CYP19A1 P11511 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1185010 0.85 TSHR (0.49) RAB9AMAPTMEN1KMT2AHTT
SCHEMBL30727333 0.85 TSHR (0.49) RAB9AMAPTMEN1KMT2AHTT
SCHEMBL13605636 0.84 L3MBTL1 (0.53) MEN1KMT2ACYP19A1ALDH1A1KDM4E
SCHEMBL1185312 0.82 TDP1 (0.57) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1542656 0.81 CHRNB2 (0.54) CHRNB2CHRNA4MAPTHTTCYP19A1
SCHEMBL5925504 0.81 MAPT (0.55) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL2682387 0.81 MAPT (0.57) CHRNB2CHRNA4RAB9AMAPTKMT2A
SCHEMBL5642158 0.81 RAB9A (0.45) RAB9AMAPTMEN1KMT2AHTT
SCHEMBL23754428 0.80 PTGS2 (0.55) MEN1KMT2AHTTALDH1A1TDP1
SCHEMBL7518552 0.79 MAPT (0.46) RAB9AMAPTMEN1KMT2AALDH1A1

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