SCHEMBL6964697

SCHEMBL6964697

[NH]c1cccc(C=O)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
ERN1 O75460 4/20 0.41
ALDH1A1 P00352 5/20 0.41
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL547829 0.82 KMT2A (0.61) KMT2AMEN1TDP1LMNATHRB
SCHEMBL9658857 0.77 KMT2A (0.55) KMT2AMEN1TDP1LMNATHRB
SCHEMBL548691 0.75 KMT2A (0.52) KMT2AMEN1TDP1LMNATHRB
Sulfuric Acid SCHEMBL18729779 0.73 KMT2A (0.50) KMT2AMEN1TDP1LMNATHRB
SCHEMBL548632 0.71 ALDH1A1 (0.62) KMT2AMEN1TDP1LMNATHRB
SCHEMBL725058 0.71 TDP1 (0.48) KMT2AMEN1TDP1LMNATHRB
SCHEMBL9413412 0.71 MEN1 (0.48) KMT2AMEN1TDP1LMNATHRB
SCHEMBL5153352 0.71 MEN1 (0.48) KMT2AMEN1TDP1LMNATHRB
SCHEMBL29956925 0.71 ALDH1A1 (0.62) KMT2AMEN1TDP1LMNATHRB
SCHEMBL1302180 0.71 ERN1 (0.64) KMT2AMEN1TDP1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed