SCHEMBL7532007

SCHEMBL7532007

CC(=O)c1ccc(NC(=O)C(C)(C)C)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ABCC9 O60706 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
KCNJ8 Q15842 1/20 0.52
KDM4E B2RXH2 2/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKCI P41743 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL29808947 0.83 HDAC1 (0.73) HDAC1HDAC6ABCC9ABCC8KCNJ11
SCHEMBL6106476 0.83 HDAC1 (0.73) HDAC1HDAC6ABCC9ABCC8KCNJ11
SCHEMBL3415898 0.81 HDAC1 (0.57) HDAC1HDAC6ABCC9ABCC8KCNJ11
SCHEMBL14254877 0.81 HTT (0.60) RAB9AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8368410 0.81 PDK1 (0.56) KDM4ENPSR1ALDH1A1ALOX12SMN1; SMN2
SCHEMBL7144520 0.81 KDM4E (0.47) HDAC1HDAC6KDM4ECA1CA2
SCHEMBL31501240 0.80 CYP17A1 (0.60) HDAC1HDAC6ABCC9ABCC8KCNJ11
SCHEMBL478852 0.80 CYP17A1 (0.60) HDAC1HDAC6ABCC9ABCC8KCNJ11
SCHEMBL8365483 0.79 KDM4E (0.46) KDM4ENPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL478495 0.79 HDAC1 (0.54) HDAC1HDAC6CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755928-B1 5-AMINOFLAVONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
EP-0638566-B1 5-Aminoflavone derivatives, their preparation and their use as antibacterial, anti-estrogenic and/or antitumor agent KYOWA HAKKO KOGYO KK (JP) 1999-01-07 EP disclosed
EP-0556720-B1 5-Aminoflavone derivatives KYOWA HAKKO KOGYO KK (JP) 1997-09-17 EP disclosed
EP-0755928-A1 5-AMINOFLAVONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-01-29 EP disclosed
US-5539112-A 5-aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-23 US disclosed
EP-0638566-A1 5-Aminoflavone derivatives, their preparation and their use as antibacterial, anti-estrogenic and/or antitumor agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-02-15 EP disclosed
EP-0556720-A1 5-Aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-25 EP disclosed
EP-0374789-A1 5- Aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-06-27 EP disclosed