SCHEMBL9010840

SCHEMBL9010840

Cc1ccc(C(=O)NC(C)(C)C(=O)C(Br)Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 2/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
POLB P06746 4/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL9821286 0.84 RAB9A (0.48) POLBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9010830 0.80 HDAC1 (0.51) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL5423464 0.80 HDAC1 (0.66) HDAC1HDAC6KDM4EPRKAB2PRKAG1
SCHEMBL9082843 0.76 HPGD (0.48) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16454351 0.74 HDAC1 (0.57) HDAC1HDAC6KDM4EPRKAB2PRKAG1
SCHEMBL8400028 0.72 HPGD (0.49) KDM4EPOLBRAB9ANPC1MEN1
SCHEMBL8403994 0.72 HDAC8 (0.53) HDAC6POLBCTDSP1RAB9ANPC1
SCHEMBL5419468 0.72 HDAC1 (0.55) HDAC1HDAC6KDM4EPRKAB2PRKAG1
SCHEMBL3952478 0.71 HDAC6 (0.72) HDAC1HDAC6KDM4EPRKAB2PRKAG1
SCHEMBL14327631 0.71 HDAC6 (1.00) HDAC1HDAC6KDM4EPRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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