SCHEMBL8468822

SCHEMBL8468822

CC(C)(C)Nc1ccc2ccccc2c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
BLM P54132 1/20 0.43
METAP2 P50579 2/20 0.42
METAP1 P53582 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK8 P45983 1/20 0.40
NCEH1 Q6PIU2 3/20 0.39
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8761442 0.87 KDM4E (0.40) IDO1KDM4EGAAMEN1KMT2A
SCHEMBL8761584 0.87 KDM4E (0.40) IDO1KDM4EGAAMEN1KMT2A
SCHEMBL10881652 0.81 KDM4E (0.49) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL7779828 0.77 KDM4E (0.45) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL8523990 0.77 EPHX1 (0.50) IDO1KDM4EGAAMEN1KMT2A
SCHEMBL8523528 0.77 IDO1 (0.41) IDO1KDM4EMEN1KMT2AALDH1A1
SCHEMBL10719829 0.76 IDO1 (0.58) IDO1KDM4EGAAMEN1KMT2A
SCHEMBL8761385 0.76 LMNA (0.40) IDO1KDM4EGAAMEN1KMT2A
SCHEMBL4642088 0.74 TSHR (0.50) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL8523292 0.74 IDO1 (0.38) IDO1KDM4EGAAMEN1KMT2A

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
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed