SCHEMBL8523528

SCHEMBL8523528

CC=CNC(=O)c1c(NC(C)(C)C)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
METAP2 P50579 2/20 0.37
METAP1 P53582 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
PLK1 P53350 1/20 0.35
NCEH1 Q6PIU2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8468822 0.77 IDO1 (0.47) IDO1METAP2METAP1NCEH1KDM4E
SCHEMBL8523990 0.76 EPHX1 (0.50) IDO1NCEH1KDM4EALDH1A1MEN1
SCHEMBL8761385 0.75 LMNA (0.40) IDO1METAP2METAP1NCEH1KDM4E
SCHEMBL8523292 0.73 IDO1 (0.38) IDO1METAP2METAP1PLK1NCEH1
SCHEMBL10719829 0.70 IDO1 (0.58) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8761891 0.68 EPHX1 (0.48) NCEH1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8761409 0.68 EPHX1 (0.47) NCEH1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8760458 0.67 LMNA (0.38) METAP2METAP1NCEH1KDM4EALDH1A1
SCHEMBL8761584 0.66 KDM4E (0.40) IDO1METAP2METAP1MTNR1AABCC9
SCHEMBL8761442 0.66 KDM4E (0.40) IDO1METAP2METAP1MTNR1AABCC9

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