SCHEMBL8548153

SCHEMBL8548153

CCOC(=O)CN(CC(=O)OCC)N(C)c1cccc(-c2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cc(-c3cccc(N(C)N(CC(=O)OCC)CC(=O)OCC)n3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRK6 P43250 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDR P35968 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8935801 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDPDGFRB
SCHEMBL8548149 0.82 KMT2A (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8934919 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDPDGFRB
SCHEMBL7770566 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDPDGFRB
SCHEMBL8935970 0.75 GRK6 (0.45) ALDH1A1MEN1KMT2AHPGDPDGFRB
SCHEMBL8542648 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDKDRCYP3A4
SCHEMBL7848755 0.70 PDGFRB (0.54) ALDH1A1MEN1KMT2AHPGDPDGFRB
SCHEMBL8935763 0.69 KDR (0.37) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL16385160 0.67 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL31325723 0.66 ERN1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
US-5677445-A DIAGNOSIS, THERAPY NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5367080-A PYRIDINE DERIVATIVES STERLING WINTHROP INC. (US) 1994-11-22 US disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed