SCHEMBL7646893

SCHEMBL7646893

CCCCCCCCCCCCN1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
USP2 O75604 5/20 0.70
KEAP1 Q14145 4/20 0.70
NFE2L2 Q16236 4/20 0.70
ATM Q13315 3/20 0.70
CYP1B1 Q16678 2/20 0.70
TLR9 Q9NR96 2/20 0.66
MAPT P10636 5/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.59
GAA P10253 1/20 0.59
THRB P10828 1/20 0.59
HTT P42858 3/20 0.58
RGS12 O14924 2/20 0.58
POLB P06746 2/20 0.58
MAPK1 P28482 2/20 0.58

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
SCHEMBL12023617 1.00 KMT2A (0.70) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL3891083 0.94 KMT2A (0.74) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL7647662 0.91 MEN1 (0.58) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL9437193 0.89 KMT2A (0.78) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL20735101 0.87 MEN1 (0.62) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL29086656 0.86 HEXA (0.67) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL10690064 0.85 KEAP1 (0.64) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL20385751 0.85 KEAP1 (0.64) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL20735100 0.85 MEN1 (0.60) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL13964867 0.85 KMT2A (0.67) KMT2AMEN1USP2KEAP1NFE2L2

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
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed