SCHEMBL11235934

SCHEMBL11235934

Cc1cc(O)n(C(C)NCCN)c(=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.45
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
UPP1 Q16831 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
SCHEMBL9013718 0.88 KDM4E (0.46) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL11228910 0.81 KDM4E (0.48) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL8043774 0.78 KDM4E (0.50) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL11042949 0.77 KDM4E (0.53) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL4801774 0.76 KDM4E (0.55) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL10962110 0.75 KDM4E (0.51) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL11238930 0.74 LMNA (0.43) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL11238064 0.74 KDM4E (0.49) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL11235930 0.74 KDM4E (0.47) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL5365754 0.74 KDM4E (0.49) KDM4EKMT2AMEN1MAPTTHRB

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-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed