SCHEMBL8367665

SCHEMBL8367665

CCOC(=O)Oc1cc([N+](=O)[O-])c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR174 Q9BXC1 2/20 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
SCHEMBL810412 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL4306866 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL810673 0.81 CUL4A (0.45) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL3274429 0.81 KMT2A (0.41) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL18306134 0.81 CUL4A (0.45) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL24453320 0.81 POLB (0.45) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL31047098 0.81 CUL4A (0.45) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL10257277 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL962620 0.80 NPC1 (0.44) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL4090654 0.77 POLB (0.46) ALDH1A1SMN1; SMN2POLBLMNAGALR2

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
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
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