SCHEMBL8343387

SCHEMBL8343387

CC=C(C(=O)Oc1cccc(Oc2ncc(C)cn2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
AKR1C3 P42330 1/20 0.38
HPGDS O60760 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PGR P06401 1/20 0.34

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
SCHEMBL2106911 0.90 KMT2A (0.41) KMT2AMEN1HTTGAAMAPT
SCHEMBL2107654 0.89 MEN1 (0.57) KMT2AMEN1HTTGAAMAPT
SCHEMBL2106908 0.79 MEN1 (0.40) KMT2AMEN1HTTGAAMAPT
SCHEMBL2106913 0.79 MEN1 (0.40) KMT2AMEN1HTTGAAMAPT
SCHEMBL2856609 0.78 KDM4E (0.40) KMT2AMEN1HTTGAAHPGDS
SCHEMBL4446622 0.77 KMT2A (0.42) KMT2AMEN1HTTGAAMAPT
SCHEMBL2108452 0.76 GCK (0.45) KMT2AMEN1AKR1C3ALDH1A1
SCHEMBL8338935 0.75 AKR1C3 (0.44) AKR1C3HDAC8PGR
SCHEMBL2107666 0.73 KDM4E (0.62) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL2108316 0.72 GPR17 (0.43) KMT2AMEN1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925675-A N-sulfonyliminodithio compounds useful for in plant and material protection BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed