SCHEMBL7652166

SCHEMBL7652166

O=Cc1cn(-c2ccccc2)nc1-c1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.66
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 8/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 3/20 0.58
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
PSMD14 O00487 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MEN1 O00255 7/20 0.54
PKM P14618 2/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL27852669 0.81 PTGS2 (0.64) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL11249242 0.80 ALDH1A1 (0.63) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL30511881 0.80 ALDH1A1 (0.63) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL3447906 0.80 PTGS2 (1.00) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL23928527 0.79 PTGS2 (0.80) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL4854411 0.78 PTGS2 (0.63) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL7652163 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL28358360 0.77 PTGS2 (0.94) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2552643 0.75 POLB (0.67) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL28358558 0.75 POLB (0.76) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB

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
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US claimed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US disclosed
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US disclosed