SCHEMBL9010839

SCHEMBL9010839

CCC(C)(NC(=O)c1cc(F)c2ccccc2c1)C(=O)C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM2B Q8NHM5 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ANO1 Q5XXA6 2/20 0.33
KAT6A Q92794 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
POLB P06746 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
SCHEMBL9010890 0.74 ERAP1 (0.34) ERAP1ANO1
SCHEMBL8156479 0.74 GRN (0.45) ALDH1A1RAB9A
SCHEMBL9011451 0.73 MEN1 (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL8167643 0.72 ALDH1A1 (0.33) ALDH1A1NPC1ERAP1ANO1KDM4E
SCHEMBL8060065 0.71 HSD11B1 (0.36) ALDH1A1ERAP1ANO1KDM4ENPSR1
SCHEMBL9010828 0.69 HPGDS (0.47) MEN1KMT2AMAPT
SCHEMBL22505235 0.69 HDAC3 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9010820 0.69 SMN1; SMN2 (0.33) NPC1RAB9AKDM4ENPSR1MAPT
SCHEMBL28766910 0.67 KDM4E (0.52) ALDH1A1ERAP1KDM4ENPSR1MEN1
SCHEMBL9010774 0.66 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP claimed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP claimed
US-5547984-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1996-08-20 US disclosed
US-5529978-A FUNGICIDE ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
US-5344978-A Fungicides ROHM AND HAAS COMPANY (US) 1994-09-06 US disclosed
US-5196046-A N-acetonyl-substituted-amides ROHM AND HAAS COMPANY (US) 1993-03-23 US disclosed
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP disclosed
US-4863940-A N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof ROHM AND HAAS (US) 1989-09-05 US disclosed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP disclosed