SCHEMBL16628101

SCHEMBL16628101

CCn1c(O)c(/N=N/c2cccc3c2C(=O)c2c(O)ccc(O)c2C3=O)c(C)c(C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.36
MITF O75030 1/20 0.36
THRB P10828 1/20 0.36
EGFR P00533 1/20 0.36
PIM1 P11309 1/20 0.36
MET P08581 1/20 0.35
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
MAOA P21397 3/20 0.32
PHGDH O43175 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32

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
SCHEMBL15586833 0.92 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13801941 0.90 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13801667 0.89 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13801869 0.89 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL16628102 0.88 KMT2A (0.43) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL16628103 0.87 SMN1; SMN2 (0.46) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13801623 0.85 MET (0.40) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL15586780 0.84 MEN1 (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL16628032 0.83 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL15586796 0.83 KMT2A (0.46) MAPTKMT2AMEN1ALDH1A1PKM

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-9546279-B2 Anthraquinone azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2017-01-17 US disclosed
US-20150096132-A1 Anthraquinone Azo Dyes HUNTSMAN INTERNATIONAL LLC 2015-04-09 US disclosed