SCHEMBL6269145

SCHEMBL6269145

O=C1c2ccc(=O)[nH]c2C(=O)c2[nH]c(=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.55
NSD2 O96028 1/20 0.55
IDO1 P14902 1/20 0.52
CTH P32929 1/20 0.52
ALDH1A1 P00352 1/20 0.36
AOC3 Q16853 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 1/20 0.35
CDC25B P30305 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL8920440 0.86 RAB9A (0.56) TDP2NSD2IDO1CTHALDH1A1
SCHEMBL7808065 0.78 TDP2 (0.39) TDP2NSD2IDO1CTHALDH1A1
SCHEMBL8919698 0.77 GAA (0.60) TDP2NSD2IDO1PAX8MEN1
SCHEMBL6407655 0.70 IDO1 (0.54) TDP2NSD2IDO1CTHALDH1A1
SCHEMBL25071563 0.67 CASP3 (0.41) TDP2NSD2IDO1CTHUPP1
SCHEMBL2922398 0.67 PDE10A (0.52) ALDH1A1GAA
SCHEMBL16736421 0.61 CA12 (0.55) ALDH1A1AOC3CA12CA9CA1
SCHEMBL16416442 0.60 IDO1 (0.40) TDP2NSD2IDO1CTHALDH1A1
SCHEMBL5157080 0.59 TDP2 (0.33) TDP2NSD2IDO1CTHALDH1A1
SCHEMBL24404193 0.57 IDO1 (0.52) TDP2IDO1ALDH1A1APAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227266-A1 Biomarker:compound correlations in cancer diagnosis and therapy APPLIED GENOMICS, INC. 2005-10-13 US claimed
WO-2005085863-A2 BIOMARKER: COMPOUND CORRELATIONS IN CANCER DIAGNOSIS AND THERAPY APPLIED GENOMICS, INC. (US) 2005-09-15 WO claimed