SCHEMBL9816832

SCHEMBL9816832

CCCCn1c(O)c(N=Nc2ccc(N=Nc3ccccc3)cc2)c(C)c(C#N)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
MAPT P10636 7/20 0.66
ALPL P05186 3/20 0.55
ALPG P10696 2/20 0.55
ALDH1A1 P00352 4/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MITF O75030 1/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
PABPC1 P11940 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9491548 0.90 KMT2A (0.54) KMT2AMEN1MAPTALPLALPG
SCHEMBL14267906 0.90 KMT2A (0.53) KMT2AMEN1MAPTALPLALPG
SCHEMBL9490131 0.90 KMT2A (0.53) KMT2AMEN1MAPTALPLALPG
SCHEMBL21400506 0.89 KMT2A (0.53) KMT2AMEN1MAPTALPLALPG
SCHEMBL14044100 0.89 MAPT (0.55) KMT2AMEN1MAPTALPLALPG
SCHEMBL13451304 0.88 KMT2A (0.52) KMT2AMEN1MAPTALPLALPG
SCHEMBL25414323 0.88 KMT2A (0.53) KMT2AMEN1MAPTALPLALPG
SCHEMBL26315649 0.88 KMT2A (0.53) KMT2AMEN1MAPTALPLALPG
SCHEMBL11523970 0.87 KMT2A (0.66) KMT2AMEN1MAPTALPLALPG
SCHEMBL20024323 0.86 KMT2A (0.50) KMT2AMEN1MAPTALPLALPG

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
EP-0218397-B1 THERMAL TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-06 EP disclosed
US-4743581-A AZO DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-10 US disclosed
EP-0218397-A2 Thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-15 EP disclosed